SCHEMBL27563188

SCHEMBL27563188

NC(=O)c1cccc2c1c1[c]c(F)ccc1n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 14/20 0.41
▸ ADRA1D P25100 1/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PLA2G10 O15496 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ PLA2G5 P39877 1/20 0.37
▸ PLA2G2E Q9NZK7 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
SCHEMBL27563128 0.92 PLA2G2A (0.41) PLA2G2AHTT
SCHEMBL27525956 0.90 PLA2G1B (0.47) PLA2G2AADRA1DCYP1A2CYP2C9CYP2C19
SCHEMBL28740781 0.90 SIRT2 (0.43) PLA2G2A
SCHEMBL27530677 0.90 PLA2G10 (0.42) ADRA1DPARP1PLA2G10PLA2G1B
SCHEMBL27530259 0.90 IDO1 (0.40) PARP1HTT
SCHEMBL27568366 0.90 PLA2G10 (0.43) PLA2G2AADRA1DPLA2G10
SCHEMBL27506748 0.89 PLA2G2A (0.41) PLA2G2AADRA1DPARP1CYP1A2CYP2C9
SCHEMBL27530159 0.89 PARP15 (0.41) PARP1PLA2G1B
SCHEMBL27530210 0.89 GPR52 (0.38) PLA2G2APARP1PLA2G10PLA2G1B
SCHEMBL27526164 0.88 FABP4 (0.38) PLA2G2APLA2G1B

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
CN-1240210-A Substituted tricyclic compound LILLY CO ELI (US) 2000-01-05 — — CN disclosed
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