SCHEMBL6990917

SCHEMBL6990917

CCNC(=O)Oc1sc(SC)c2c1CCc1sc(-c3ccccc3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 4/20 0.40
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL6997444 0.89 EPHX1 (0.43) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL6990002 0.85 NPC1 (0.53) NPC1HPGDRAB9AALDH1A1MAPT
SCHEMBL7090942 0.84 ALDH1A1 (0.49) NPC1HPGDRAB9AALDH1A1MAPT
SCHEMBL6988288 0.83 CCNC (0.39) NPC1HPGDRAB9AALDH1A1MAPT
SCHEMBL6996535 0.81 MEN1 (0.33) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL6987226 0.79 CDC7 (0.53) HPGDALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL6992723 0.79 CCNC (0.49) NPC1RAB9AALDH1A1MAPTCCNC
SCHEMBL6988867 0.78 ALDH1A1 (0.51) NPC1HPGDRAB9AALDH1A1MAPT
SCHEMBL8319767 0.77 TSHR (0.46) NPC1HPGDRAB9AALDH1A1MEN1
SCHEMBL6995342 0.76 CDC7 (0.50) NPC1HPGDMAPTMEN1KMT2A

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
EP-0931074-B1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP claimed