SCHEMBL7090942

SCHEMBL7090942

CSc1sc(OC(=O)NCc2ccc3c(c2)OCO3)c2c1-c1nc(-c3ccccc3)sc1CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HTT P42858 3/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 1/20 0.44
FAAH O00519 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 5/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6987743 0.88 HPGD (0.53) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL6990917 0.84 NPC1 (0.41) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6987742 0.75 HPGD (0.38) ALDH1A1KMT2AMEN1GAAFAAH
SCHEMBL6988288 0.75 CCNC (0.39) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL6990002 0.72 NPC1 (0.53) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL6995342 0.72 CDC7 (0.50) HTTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL9371939 0.68 ALDH1A1 (1.00) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL6989475 0.67 TRPM8 (0.41) ALDH1A1HTTKMT2AMEN1GAA
SCHEMBL6986492 0.65 MEN1 (0.36) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL6989907 0.65 CCNC (0.52) ALDH1A1HTTKMT2AMEN1GAA

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