SCHEMBL14033291

SCHEMBL14033291

O=C1[C@H]2C3CCC(C3)N2C(=S)N1c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.40
DDAH1 O94760 1/20 0.39
ELANE P08246 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSMB1 P20618 1/20 0.32
PSMB2 P49721 1/20 0.32

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
SCHEMBL7246754 1.00 AR (0.53) ARMAPTALDH1A1PKMHPGD
SCHEMBL4042115 0.88 AR (0.67) ARMAPTALDH1A1PKMHPGD
SCHEMBL4040077 0.88 AR (0.67) ARMAPTALDH1A1PKMHPGD
SCHEMBL4040068 0.88 AR (0.67) ARMAPTALDH1A1PKMHPGD
SCHEMBL4037215 0.80 AR (0.57) ARMAPTALDH1A1PKMHPGD
SCHEMBL5865743 0.76 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865742 0.76 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL6212655 0.76 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL5865739 0.76 MAPT (0.46) MAPTALDH1A1PKMHPGDHSD17B10
SCHEMBL3189275 0.72 GAA (0.58) MAPTALDH1A1PKMHPGDHSD17B10

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
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed