SCHEMBL31305451

SCHEMBL31305451

Clc1cccc(-c2c[nH]c(Cc3ccc(Cl)c(Cl)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ IDO1 P14902 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ RNASEH1 O60930 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ CXCR2 P25025 1/20 0.37
▸ PNP P00491 1/20 0.37
▸ TYMP P19971 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
SCHEMBL2871356 1.00 ADORA2A (0.46) ADORA2AADORA1IDO1TAAR1PDGFRB
SCHEMBL2868741 0.89 CXCR2 (0.40) ADORA2AADORA1KDRCXCR2PNP
SCHEMBL31305579 0.89 CXCR2 (0.40) ADORA2AADORA1KDRCXCR2PNP
SCHEMBL2871545 0.89 ADORA2A (0.41) ADORA2AADORA1IDO1RNASEH1NR1I3
SCHEMBL31305503 0.89 ADORA2A (0.44) ADORA2AADORA1RNASEH1CXCR2PNP
SCHEMBL26109457 0.89 ADORA2A (0.44) ADORA2AADORA1RNASEH1CXCR2PNP
SCHEMBL31305393 0.87 ADORA2A (0.44) ADORA2AADORA1IDO1RNASEH1CXCR2
SCHEMBL5755658 0.87 ADORA2A (0.44) ADORA2AADORA1IDO1RNASEH1CXCR2
SCHEMBL2867396 0.86 ADORA2A (0.42) ADORA2AADORA1RNASEH1NR1I3PNP
SCHEMBL31305567 0.86 ADORA2A (0.42) ADORA2AADORA1RNASEH1NR1I3PNP

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-118922584-A Surface treating agent for copper or copper alloy 四国化成工业株式会社 2024-11-08 — — CN disclosed
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