SCHEMBL28080232

SCHEMBL28080232

Cc1ccsc1-c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SRD5A2 P31213 1/20 0.46
GRM6 O15303 1/20 0.45
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
HPGDS O60760 1/20 0.43
SCD O00767 1/20 0.43
CYP2A6 P11509 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL11478110 0.81 PTGS1 (0.59) LMNAKMT2ARAB9AMAPTHPGD
SCHEMBL27662362 0.80 MEN1 (0.51) MEN1LMNAKMT2ARAB9AMAPT
SCHEMBL1821918 0.80 CYP2A6 (0.60) MEN1KMT2AALDH1A1CYP2A6CYP3A4
SCHEMBL2552781 0.79 CYP2A6 (0.44) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1
SCHEMBL13130594 0.78 CYP2A6 (0.61) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL19861970 0.77 CYP2A6 (0.53) MEN1KMT2AALDH1A1CYP2A6CYP3A4
SCHEMBL28940290 0.77 SMN1; SMN2 (0.51) RAB9AMAPTHPGDNPC1CYP2A6
SCHEMBL6139747 0.75 KMO (0.51) MEN1LMNAKMT2ARAB9AMAPT
SCHEMBL2558572 0.75 GSK3B (0.50) MEN1LMNAKMT2ARAB9AMAPT
SCHEMBL11485112 0.73 SRC (0.42) CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1

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
CN-104140715-B Photopolymerizable composition, Photopolymerizable inkjet ink, ink cartridge, and coated matter 株式会社理光 2017-04-12 CN disclosed
CN-104119726-B Photopolymerizable composition, photopolymerizable ink jet ink, ink cartridge, and coated matter 株式会社理光 2017-01-11 CN disclosed
CN-104119725-B Optical polymerism constituent, optical polymerism jetted ink, print cartridge, coating substance 株式会社理光 2016-08-31 CN disclosed