SCHEMBL9211525

SCHEMBL9211525

COC=C(C(=O)O)c1csc2ccc(CON=C(c3ccc(Cl)cc3)C3CC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR2 O15552 1/20 0.33
MAPT P10636 1/20 0.33
C5AR1 P21730 6/20 0.32
GCGR P47871 1/20 0.31
ATM Q13315 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL9215312 0.93 MAPT (0.34) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL9275150 0.92 MEN1 (0.37) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL9216433 0.86 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL9215417 0.86 MEN1 (0.36) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL9219323 0.84 PPARG (0.36) MEN1KMT2A
SCHEMBL9219849 0.78 MTNR1A (0.35) MAPTMTNR1AMTNR1B
SCHEMBL9212152 0.77 PPARG (0.34) MEN1KMT2AMAPT
SCHEMBL9213079 0.77 FFAR1 (0.37) KMT2AMAPT
SCHEMBL9218525 0.73 SMN1; SMN2 (0.48) NPC1RAB9AL3MBTL1MAPT
SCHEMBL9218845 0.73 PPARG (0.43) NPC1RAB9AMEN1KMT2AMAPT

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-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed