SCHEMBL31305494

SCHEMBL31305494

Clc1ccc(Cc2nc(-c3ccccc3Cl)c[nH]2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ RNASEH1 O60930 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ TYMP P19971 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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
SCHEMBL2871561 1.00 ADORA2A (0.42) ADORA2ANR1H2NR1H3TSHRMAPK1
SCHEMBL31305401 0.90 ADORA2A (0.42) ADORA2ATSHRMAPK1TDP1SLC6A2
SCHEMBL26110895 0.90 ADORA2A (0.42) ADORA2ATSHRMAPK1TDP1SLC6A2
SCHEMBL28812836 0.89 ADORA2A (0.43) ADORA2ANR1H2NR1H3TSHRMAPK1
SCHEMBL2869238 0.88 ADORA2A (0.40) ADORA2ANR1H2NR1H3TSHRMAPK1
SCHEMBL26113802 0.88 NR1H2 (0.41) ADORA2ANR1H2NR1H3PDGFRBADORA1
SCHEMBL27967661 0.86 ADORA2A (0.41) ADORA2ARNASEH1ADORA1PNPTYMP
SCHEMBL2872330 0.86 NR1H2 (0.47) ADORA2ANR1H2NR1H3TSHRMAPK1
SCHEMBL31305498 0.85 NR1H2 (0.56) NR1H2NR1H3TSHRMAPK1PDGFRB
SCHEMBL2871417 0.85 NR1H2 (0.56) NR1H2NR1H3TSHRMAPK1PDGFRB

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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