SCHEMBL26052219

SCHEMBL26052219

Cc1cc(Sc2ccc([SH](c3ccccc3)c3ccc(-c4ccccc4)c(C)c3)cc2)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
BCL2 P10415 2/20 0.34
MCL1 Q07820 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NR2F2 P24468 1/20 0.31

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
SCHEMBL19086319 0.84 ESR2 (0.53) ESR2MAOAMAOBCYP2A6CYP2B6
SCHEMBL27409215 0.84 MAOA (0.35) ESR2MAOAMAOBCYP2A6CYP2B6
SCHEMBL1844887 0.84 ESR2 (0.57) ESR2MAOAMAOBCYP2A6CYP2B6
SCHEMBL26052222 0.79 CYP1A1 (0.38) MAOAMAOBCYP2A6CYP2B6ALDH1A1
SCHEMBL25803370 0.76 HPGD (0.35) ALDH1A1CYP1A2CYP2C9L3MBTL1MAPT
SCHEMBL26052209 0.75 MAOA (0.38) MAOAMAOBBCL2MCL1ALDH1A1
SCHEMBL25747777 0.75 ALDH1A1 (0.39) MAOAMAOBCYP2A6CYP2B6ALDH1A1
SCHEMBL25600272 0.75 MAOA (0.43) MAOAMAOBBCL2MCL1ALDH1A1
SCHEMBL1788628 0.73 ESR2 (0.57) ESR2CYP2A6CYP2B6ALDH1A1TDP1
SCHEMBL25525448 0.73 MAPT (0.44) MAOAMAOBALDH1A1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023157801-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING RESIST PATTERN FILM, AND METHOD FOR PRODUCING PLATED SHAPED ARTICLE JSR株式会社 2023-08-24 WO disclosed