SCHEMBL31305413

SCHEMBL31305413

Clc1cccc(-c2c[nH]c(Cc3ccc4ccccc4c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ CYP2D6 P10635 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CXCR2 P25025 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.37
▸ HTR6 P50406 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
SCHEMBL26108629 1.00 ADORA2A (0.44) ADORA2AADORA1CYP2D6CYP1A2CYP3A4
SCHEMBL26110389 0.91 ADORA2A (0.39) ADORA2AADORA1CYP2D6CYP1A2CXCR2
SCHEMBL26108692 0.90 GRIN1 (0.40) CYP1A2CXCR2KDRCYP2A6
SCHEMBL31305554 0.90 GRIN1 (0.40) CYP1A2CXCR2KDRCYP2A6
SCHEMBL26110431 0.88 PTGDR2 (0.44) ADORA2AADORA1CYP2D6TAAR1NFKB1
SCHEMBL26111615 0.88 ADORA2A (0.45) ADORA2AADORA1CYP2D6CYP1A2TAAR1
SCHEMBL31305574 0.86 CXCR2 (0.48) CYP3A4CYP2C19CXCR2IDO1PDGFRB
SCHEMBL2867322 0.86 CXCR2 (0.48) CYP3A4CYP2C19CXCR2IDO1PDGFRB
SCHEMBL31305451 0.85 ADORA2A (0.46) ADORA2AADORA1CXCR2IDO1TAAR1
SCHEMBL2871356 0.85 ADORA2A (0.46) ADORA2AADORA1CXCR2IDO1TAAR1

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
US-20250215572-A1 SURFACE TREATMENT AGENT FOR COPPER OR COPPER ALLOY SHIKOKU CHEMICALS CORPORATION (JP) 2025-07-03 — — US disclosed
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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