SCHEMBL1900165

SCHEMBL1900165

CN1C(=O)Cc2cc(-c3cccc(F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.51
ACVRL1 P37023 16/20 0.51
ACVR1 Q04771 16/20 0.51
BMPR1A P36894 14/20 0.51
BMPR1B O00238 13/20 0.51
TGFBR1 P36897 8/20 0.48
CYP17A1 P05093 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CREBBP Q92793 1/20 0.46
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45

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
SCHEMBL3312583 0.87 CYP11B1 (0.64) CYP17A1CYP1A2CYP19A1CYP11B1CYP11B2
SCHEMBL23601553 0.84 TRIM24 (0.56) TRIM24ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL8999096 0.82 TRIM24 (0.49) TRIM24ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL745958 0.82 ACVRL1 (0.67) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL1899211 0.82 LMNA (0.55) TRIM24ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL24721524 0.80 TRIM24 (0.50) TRIM24ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL27647972 0.78 PARP10 (0.41) CYP11B1CYP11B2PARP10PARP11
SCHEMBL769062 0.77 CYP11B1 (0.78) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL769234 0.76 ACVRL1 (0.71) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL753680 0.74 CYP11B1 (0.73) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1

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
WO-2011056985-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-05-12 WO disclosed