SCHEMBL9201286

SCHEMBL9201286

COc1ccc2c(O)c(C(=O)Nc3nnc(C(F)(F)F)s3)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TP53 P04637 1/20 0.57
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NQO1 P15559 2/20 0.46
▸ CYP2C9 P11712 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MCL1 Q07820 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
SCHEMBL7610711 0.88 MEN1 (0.49) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL9206228 0.87 POLB (0.53) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7617104 0.86 KMT2A (0.53) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7610155 0.86 MEN1 (0.56) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7618641 0.85 MEN1 (0.52) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL9207130 0.84 MEN1 (0.53) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL9208153 0.83 NPC1 (0.64) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7610344 0.81 MEN1 (0.56) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7608938 0.80 KMT2A (0.45) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL7620367 0.80 KMT2A (0.45) NPC1RAB9AHTTSMN1; SMN2TP53

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-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
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