SCHEMBL9540950

SCHEMBL9540950

CCCCc1cc2c(OC)cccc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.61
TNKS O95271 3/20 0.51
TNKS2 Q9H2K2 1/20 0.51
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
GHSR Q92847 1/20 0.42
SLC2A1 P11166 1/20 0.41
APLNR P35414 2/20 0.41
THRB P10828 1/20 0.41
NQO2 P16083 1/20 0.40

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
SCHEMBL7343701 0.76 LOXL2 (0.60) PARP1TNKSCTSVCTSLGPR84
SCHEMBL4859629 0.76 PARP1 (0.71) PARP1CTSVCTSLGPR84GHSR
SCHEMBL15775671 0.76 PARP1 (1.00) PARP1CTSVCTSLGPR84
SCHEMBL7417773 0.75 MTNR1A (0.60) PARP1MTNR1AMTNR1BGPR84SLC2A1
SCHEMBL6643174 0.74 PARP1 (0.44) PARP1TNKSTNKS2
SCHEMBL16579025 0.73 TNKS (0.58) PARP1TNKSTNKS2THRBNQO2
SCHEMBL6648863 0.73 PARP1 (0.46) PARP1TNKSTNKS2
SCHEMBL9539977 0.72 GHSR (0.54) PARP1TNKS2MTNR1AMTNR1BGPR84
SCHEMBL15775820 0.72 PARP1 (0.64) PARP1CTSVCTSLGPR84GHSR
SCHEMBL2532412 0.72 PARP1 (0.65) PARP1CTSVCTSLGPR84

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-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed