SCHEMBL11037624

SCHEMBL11037624

O=C(c1ccccc1)c1ccc2c(c1)CC(=O)N2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.58
▸ PDE5A O76074 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 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
SCHEMBL11035202 0.86 HPGD (0.58) HPGDPDE5AGAAPKMTLR9
SCHEMBL27801622 0.86 HPGD (0.58) HPGDPDE5AGAAPKMTLR9
SCHEMBL10744425 0.79 HPGD (0.65) HPGDPDE5AGAAPKMTLR9
SCHEMBL4304620 0.79 NOTUM (0.61) HPGDPDE5AL3MBTL1ATMTDP1
SCHEMBL9834928 0.79 PDE5A (0.54) HPGDPDE5AL3MBTL1ATMTDP1
SCHEMBL9667595 0.78 ALDH1A1 (0.47) HPGDPDE5AGAAL3MBTL1ATM
SCHEMBL28037987 0.77 HPGD (0.61) HPGDPDE5AGAAPKMTLR9
SCHEMBL16110543 0.76 OPRK1 (0.65) HPGDGAAPKMTLR9L3MBTL1
SCHEMBL2343941 0.76 HPGD (0.65) HPGDPDE5AGAAPKMTLR9
SCHEMBL24091884 0.75 NPC1 (0.43) HPGDL3MBTL1ATMTDP1SMN1; SMN2

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
JP-59167548-A — — None — — JP disclosed
JP-S59167548-A 5-BENZOYL-2-ANILINO SUBSTITUTED-PHENYLACETIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-09-21 — — JP disclosed
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