SCHEMBL61198

SCHEMBL61198

Cc1ccc(N=C=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 5/20 0.51
TSHR P16473 4/20 0.51
RECQL P46063 1/20 0.51
MPI P34949 1/20 0.48
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL3461918 0.86 CYP3A4 (0.51) CYP3A4TRPA1ALDH1A1TSHRRECQL
SCHEMBL8677779 0.85 CYP3A4 (0.49) CYP3A4TRPA1ALDH1A1TSHRRECQL
SCHEMBL3284296 0.85 ALDH1A1 (0.50) CYP3A4TRPA1ALDH1A1TSHRRECQL
SCHEMBL11220630 0.84 TSHR (0.47) CYP3A4TRPA1ALDH1A1TSHRMAPK1
SCHEMBL29389795 0.81 CYP3A4 (0.49) CYP3A4TRPA1ALDH1A1TSHRMAPK1
SCHEMBL124224 0.81 CYP3A4 (0.49) CYP3A4TRPA1ALDH1A1TSHRMAPK1
SCHEMBL78800 0.79 ALDH1A1 (0.53) CYP3A4TRPA1ALDH1A1TSHRRECQL
SCHEMBL15371322 0.79 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRRECQLMPI
SCHEMBL1020966 0.79 TDP1 (0.59) ALDH1A1TSHRRECQLMAPK1TDP1
SCHEMBL10883032 0.79 MEN1 (0.59) ALDH1A1TSHRRECQLHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113750651-B Filter material with antibacterial and deodorizing functions and preparation method thereof 杭州巴贝克科技有限公司 2023-04-18 CN claimed
CN-113750651-A Filter material with antibacterial and deodorizing functions and preparation method thereof 杭州巴贝克科技有限公司 2021-12-07 CN claimed
CN-103304446-B Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2015-02-25 CN claimed
CN-103304446-A Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2013-09-18 CN claimed
CN-113750651-B Filter material with antibacterial and deodorizing functions and preparation method thereof 杭州巴贝克科技有限公司 2023-04-18 CN disclosed
CN-113750651-A Filter material with antibacterial and deodorizing functions and preparation method thereof 杭州巴贝克科技有限公司 2021-12-07 CN disclosed
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 US disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-4147801-A UREYLENEBIS/METHYL-PHENYLENE/UREYLENE//DI-1,3,6-NAPHTHALENE TRISULFONIC ACID AMERICAN CYANAMID COMPANY (US) 1979-04-03 US disclosed
US-4146640-A SULFONIC ACID AND SECONDARY AMIDE FUNCTIONAL GROUPS AMERICAN CYANAMID COMPANY (US) 1979-03-27 US disclosed
US-4108890-A Nitro or amino phenylenebis(carbonylimino)dinaphthalenetrisulfonic compounds as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-08-22 US disclosed
US-4103028-A SUBSTITUTED HYDROXY NAPHTHALENEDISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-07-25 US disclosed
US-4087548-A NAPHTHALENE TRISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4070391-A Process for producing isocyanate from nitro compounds and carbon monoxide using rhodium oxide catalysts ETHYL CORPORATION (US) 1978-01-24 US disclosed
US-4051176-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-09-27 US disclosed
US-4046805-A Substituted-hydroxy-naphthalenedisulfonic acid compounds AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed