SCHEMBL11230396

SCHEMBL11230396

CCOc1ccc(OCC)c([N+]#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BRCA1 P38398 1/20 0.38
HBB P68871 1/20 0.38

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
Hydrochloric Acid SCHEMBL9138523 0.98 NQO1 (0.45) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL11411982 0.93 KDM4E (0.43) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL14588712 0.85 KDM4E (0.47) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL3312285 0.78 NR5A1 (0.47) ALDH1A1TSHRTP53HPGD
SCHEMBL8974916 0.78 NQO1 (0.44) NQO1KDM4EALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL3805858 0.77 NQO1 (0.42) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL29657372 0.76 NQO1 (0.59) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL2498271 0.76 NQO1 (0.59) NQO1KDM4EALDH1A1TSHRMEN1
SCHEMBL8086098 0.75 KDM4E (0.45) NQO1KDM4EALDH1A1MEN1KMT2A
SCHEMBL17603109 0.75 ALDH1A1 (0.50) ALDH1A1TDP1MAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334005-A Transition metal photoreduction systems and processes EASTMAN KODAK COMPANY (US) 1982-06-08 US disclosed
US-4324852-A REDOX COUPLES EASTMAN KODAK COMPANY (US) 1982-04-13 US disclosed
US-4314019-A NONSILVER PHOTOGRAPHY; COBALT AMMINE COMPLEXES) QUINONE REDUCING AGENTS EASTMAN KODAK COMPANY (US) 1982-02-02 US disclosed
US-4195998-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, QUINONE OR CARBAZIDE PHOTOREDUCTANT EASTMAN KODAK COMPANY (US) 1980-04-01 US disclosed