SCHEMBL6986492

SCHEMBL6986492

CSc1oc(OC(=O)O)c2c1-c1nc(-c3ccccc3)sc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GLA P06280 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
POLB P06746 1/20 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
SCHEMBL6986490 0.84 RARA (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6987770 0.81 RARA (0.46) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL6992723 0.74 CCNC (0.49) KDM4EALDH1A1MAPTRARARARB
SCHEMBL6988867 0.72 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL6987226 0.71 CDC7 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6989475 0.70 TRPM8 (0.41) MEN1KMT2AKDM4EALDH1A1PTGDR2
SCHEMBL6990917 0.70 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1ALOX5
SCHEMBL6996535 0.70 MEN1 (0.33) MEN1KMT2AKDM4EALDH1A1ALOX5
SCHEMBL6990002 0.69 NPC1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6997444 0.67 EPHX1 (0.43) MEN1KMT2AKDM4EALDH1A1ALOX5

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