SCHEMBL1899211

SCHEMBL1899211

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
ACVRL1 P37023 11/20 0.49
ACVR1 Q04771 11/20 0.49
BMPR1B O00238 9/20 0.49
MET P08581 1/20 0.48
BMPR1A P36894 10/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP11 Q9NR21 1/20 0.48
TRIM24 O15164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
TGFBR1 P36897 5/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
CREBBP Q92793 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
SCHEMBL8998844 0.84 LMNA (0.54) LMNAPOLBACVRL1ACVR1BMPR1B
SCHEMBL769477 0.83 ACVRL1 (0.63) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL1900165 0.82 TRIM24 (0.51) ACVRL1ACVR1BMPR1BBMPR1APARP10
SCHEMBL23601553 0.80 TRIM24 (0.56) ACVRL1ACVR1BMPR1BBMPR1APARP10
SCHEMBL24721524 0.77 TRIM24 (0.50) ACVRL1ACVR1BMPR1BBMPR1ATRIM24
SCHEMBL4892413 0.76 CYP11B1 (0.58) HRH3CYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL769062 0.74 CYP11B1 (0.78) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL15571195 0.73 HDAC1 (0.62) LMNAACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL769234 0.73 ACVRL1 (0.71) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL5038167 0.73 GABRA1 (0.58) LMNA

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