SCHEMBL2446500

SCHEMBL2446500

Nc1ccc2c(N)cccc2c1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 4/20 0.68
HPGD P15428 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
TSHR P16473 2/20 0.68
HSD17B10 Q99714 2/20 0.68
NR4A2 P43354 1/20 0.52
KEAP1 Q14145 2/20 0.50
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 3/20 0.46
EP300 Q09472 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
HDAC3 O15379 1/20 0.46
KAT2B Q92831 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16107418 0.83 ALDH1A1 (0.87) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL21854609 0.83 ALDH1A1 (0.87) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL14876644 0.83 ALDH1A1 (0.87) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL29990904 0.83 MEN1 (0.44) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL48843 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL29365003 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL1600172 0.83 MEN1 (0.44) ALDH1A1CYP3A4HPGDTDP1TSHR
Ammonia Solution, Strong SCHEMBL7197839 0.80 ALDH1A1 (0.93) ALDH1A1CYP3A4HPGDTDP1TSHR
Hydrochloric Acid SCHEMBL9797243 0.80 KMT2A (0.42) ALDH1A1CYP3A4HPGDTDP1TSHR
Hydrochloric Acid SCHEMBL8641121 0.80 CYP3A4 (0.93) ALDH1A1CYP3A4HPGDTDP1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471241-B Process for preparing light-coloured isocyanates of the diphenylmethane series BASF SE (DE) 2015-11-25 CN claimed
CN-102471071-B Process for the preparation of light-colored isocyanates of the diphenylmethanediisocyanate series BASF SE 2015-01-28 CN claimed
CN-102471071-A Process for preparing light-colored isocyanates of the diphenylmethane diisocyanate series BASF SE 2012-05-23 CN claimed
CN-102471241-A Process for preparing light-coloured isocyanates of the diphenylmethane series BASF SE 2012-05-23 CN claimed
CN-1939899-B Synthesis of 1,5-naphthalene isocyanate CHONGSHUN CHEMISTRY CO., LTD., HANGZHOU (CN) 2011-12-21 CN claimed
CN-1922249-B Porous film, process for producing the same, and lithium-ion secondary cell made with the same TOYO BOSEKI 2010-08-18 CN claimed
CN-101157756-B Method for synthesizing poly 1,5-naphthalene diamine UNIV TONGJI 2010-07-14 CN claimed
CN-100503692-C Method for preparing poly 1,5-naphthalene diamine nano pipe UNIV TONGJI (CN) 2009-06-24 CN claimed
CN-101157756-A Method for synthesizing poly 1,5-naphthalene diamine UNIV TONGJI (CN) 2008-04-09 CN claimed
CN-101070383-A Method for preparing poly 1,5-naphthalene diamine nano pipe UNIV TONGJI (CN) 2007-11-14 CN claimed
CN-100343225-C Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER AG (DE) 2007-10-17 CN claimed
CN-1939899-A Synthesis of 1,5-naphthalene isocyanate CHONGSHUN CHEMISTRY CO LTD HAN (CN) 2007-04-04 CN claimed
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 CN claimed
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 CN claimed
CN-1467195-A Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate 2004-01-14 CN claimed
CN-1108678-A Water-proof polyurethane coating film and preparation method thereof SANYUAN BUILDING BINDING MATER (CN) 1995-09-20 CN claimed
CN-115882059-A In-situ polymerization solid polymer electrolyte and preparation method thereof 中国科学院长春应用化学研究所 2023-03-31 CN disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
US-4717764-A Two stage melt polymerization process for making polymers containing aromatic amide groups CELANESE CORPORATION (US) 1988-01-05 US disclosed