SCHEMBL4015936

SCHEMBL4015936

COc1ccc2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ABL1 P00519 2/20 0.53
GPER1 Q99527 1/20 0.49
SCD O00767 7/20 0.49
SIRT2 Q8IXJ6 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL4009353 0.93 KMT2A (0.54) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4010576 0.90 MEN1 (0.58) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4012125 0.86 KMT2A (0.54) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4015635 0.86 NPC1 (0.52) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4010897 0.84 MEN1 (0.58) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4015480 0.84 ABL1 (0.60) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4009561 0.81 NPC1 (0.55) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13768431 0.80 KMT2A (0.54) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4010803 0.80 MEN1 (0.54) LMNAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4016102 0.80 NPC1 (0.50) LMNAMEN1KMT2ASMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed