SCHEMBL9168221

SCHEMBL9168221

Nc1ccccc1-n1[c]ncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.35
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL27588510 0.80 NCF1 (0.36)
SCHEMBL27561216 0.77 MGLL (0.37) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL9763550 0.77 MEN1 (0.37) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL27666308 0.74 FAAH (0.43) ALDH1A1MAPTCYP3A4ALOX15HPGD
SCHEMBL27606547 0.74 MAPT (0.48) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL2089371 0.73 RBP4 (0.36) GAAKMT2AMEN1HTTALDH1A1
SCHEMBL2092603 0.73 MGLL (0.42) GAAKDM4EKMT2AMEN1HTT
SCHEMBL27779982 0.73 KEAP1 (0.35) KEAP1LMNA
SCHEMBL63013 0.73 CYP3A4 (0.40) GAAKDM4EKMT2AMEN1MAPT
SCHEMBL27588554 0.72 MAPT (0.42) GAAKDM4EKMT2AMEN1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1553900-A Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents ��ʱ��ʩ����ҩ��˾ 2004-12-08 CN disclosed
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed