SCHEMBL8502124

SCHEMBL8502124

NC(=O)c1cc2c3c(cccc3c1)N=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.40
▸ PARP1 P09874 6/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ STAMBP O95630 1/20 0.39
▸ COPS5 Q92905 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ SIRT3 Q9NTG7 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL8500463 0.76 PARP1 (0.43) PARP1PSMD14STAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL8500510 0.74 PARP1 (0.42) PARP1PSMD14STAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL8500414 0.74 PARP1 (0.42) PARP1PSMD14STAMBPCOPS5MEN1
SCHEMBL4502232 0.74 MEN1 (0.67) PARP1PSMD14STAMBPCOPS5MEN1
SCHEMBL27787232 0.73 PARP1 (0.44) PARP1PSMD14STAMBPCOPS5MEN1
Hydrochloric Acid SCHEMBL8499722 0.72 PARP1 (0.43) PARP1PSMD14STAMBPCOPS5MEN1
SCHEMBL30596827 0.71 PSMD14 (0.36) TRPA1PARP1PSMD14STAMBPCOPS5
SCHEMBL29473502 0.69 GRK6 (0.45) TRPA1KMT2AGRK6CYP3A4MAPT
SCHEMBL2637178 0.69 GRK6 (0.45) TRPA1KMT2AGRK6CYP3A4MAPT
SCHEMBL25369029 0.67 TRPA1 (0.41) TRPA1PARP1MEN1KMT2ALCK

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
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 — — EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 — — WO disclosed
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