SCHEMBL4010803

SCHEMBL4010803

Nc1ccc2occ(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
LMNA P02545 7/20 0.54
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 7/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 5/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
HPGD P15428 3/20 0.54
ABL1 P00519 5/20 0.53
GPER1 Q99527 1/20 0.52
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 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
SCHEMBL4010897 0.92 MEN1 (0.58) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL13768431 0.89 KMT2A (0.54) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4010576 0.86 MEN1 (0.58) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4015480 0.86 ABL1 (0.60) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4009353 0.86 KMT2A (0.54) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4006756 0.86 LMNA (0.54) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4009545 0.85 MEN1 (0.53) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4006499 0.85 MEN1 (0.53) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4015740 0.84 MEN1 (0.52) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL4163968 0.84 NPC1 (0.51) MEN1KMT2ALMNARAB9AKDM4E

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