SCHEMBL8470071

SCHEMBL8470071

CCOc1ccc2c(c1)CC=CN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
TTK P33981 1/20 0.39

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
SCHEMBL11594017 0.74 NQO1 (0.52) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL19520635 0.71 HRH3 (0.56) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL689457 0.69 MAOB (0.62) HSD17B10MEN1KMT2AMAPTESR2
SCHEMBL11354051 0.69 CHRNB2 (0.45) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10911483 0.69 HRH3 (0.59) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL10071512 0.69 NQO1 (0.54) NQO1HSD17B10MEN1KMT2AKDM4E
SCHEMBL8264111 0.68 NQO1 (0.48) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL2205572 0.68 MAOA (0.66) CYP3A4CYP1A2CYP2C19
SCHEMBL25273815 0.67 NQO1 (0.52) NQO1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL4895513 0.67 NQO1 (0.52) NQO1ALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed