SCHEMBL7736167

SCHEMBL7736167

COCCOc1cc2ccc(-c3cccc([N+](=O)[O-])c3)cc2cc1-c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.39
▸ VCP P55072 1/20 0.39
▸ PLAU P00749 2/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ CYP19A1 P11511 4/20 0.38
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ KEAP1 Q14145 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37

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
Hydrochloric Acid SCHEMBL7736150 0.90 CYP19A1 (0.44) TOP1VCPPLAUCYP19A1CYP11B1
SCHEMBL6824271 0.82 ADRA2A (0.44) TOP1PLAUPLGPLATPDE4D
Hydrochloric Acid SCHEMBL7727730 0.77 ADRA2A (0.43) TOP1PLAUPLGPLATCYP19A1
Hydrochloric Acid SCHEMBL7738341 0.76 VCP (0.36) VCPCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL6734212 0.73 MAPT (0.44) TOP1RAB9ANPC1KEAP1NFE2L2
SCHEMBL1655585 0.72 MAPT (0.56) RAB9ANPC1PDE4DMEN1MAPT
SCHEMBL8536108 0.68 HTT (0.51) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL16148300 0.67 NPC1 (0.48) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL16148298 0.67 FGFR1 (0.51) MAPTKMT2AHTT
SCHEMBL8541523 0.66 ADRA1A (0.54) VCPCYP19A1PDE4DPDE4B

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-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 — — US disclosed
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