SCHEMBL12706705

SCHEMBL12706705

C=C1c2cc(Cl)ccc2CC(=O)N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TSPO P30536 1/20 0.43
PKM P14618 1/20 0.42
SRD5A1 P18405 3/20 0.41
SRD5A2 P31213 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
OPRK1 P41145 2/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41

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
SCHEMBL9390048 0.83 CASP6 (0.44) METAP1LMNAGAATSPOPKM
SCHEMBL9918982 0.77 SRD5A1 (0.50) METAP1GAAPKMSRD5A1SRD5A2
SCHEMBL1925736 0.76 OPRK1 (0.55) LMNAGAATSPOPKMSRD5A1
SCHEMBL12706548 0.76 RNASEH1 (0.49) GAAPKMSRD5A1CASP6MEN1
SCHEMBL1925311 0.73 PKM (0.59) LMNAGAATSPOPKMSRD5A1
SCHEMBL23957375 0.68 P2RX7 (0.42) METAP1LMNAGAASRD5A1SRD5A2
SCHEMBL4307204 0.68 CYP11B2 (0.44) METAP1LMNASRD5A1SRD5A2OPRK1
SCHEMBL29481934 0.68 P2RX7 (0.42) METAP1LMNAGAASRD5A1SRD5A2
SCHEMBL29581704 0.68 METAP1 (0.47) METAP1F7PARP1F3PARP10
SCHEMBL4896509 0.68 METAP1 (0.47) METAP1F7PARP1F3PARP10

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
EP-2314593-A1 Platelet ADP receptor inhibitors Portola Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed