SCHEMBL28812836

SCHEMBL28812836

Clc1ccc(Cc2nc(-c3cccc(Cl)c3Cl)c[nH]2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.43
▸ ADORA1 P30542 1/20 0.40
▸ NUDT1 P36639 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ RNASEH1 O60930 1/20 0.38
▸ PNP P00491 1/20 0.36
▸ TYMP P19971 1/20 0.36
▸ PTPN11 Q06124 2/20 0.36
▸ EIF4E P06730 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35

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
SCHEMBL31305494 0.89 ADORA2A (0.42) ADORA2AADORA1IDO1RNASEH1PNP
SCHEMBL2871561 0.89 ADORA2A (0.42) ADORA2AADORA1IDO1RNASEH1PNP
SCHEMBL26109099 0.87 ADORA2A (0.37) ADORA2AADORA1NUDT1IDO1PTPN11
SCHEMBL2863841 0.86 IDO1 (0.40) NUDT1IDO1PTPN11MAPK1NR1H2
SCHEMBL27967650 0.85 NUDT1 (0.39) NUDT1IDO1PTPN11NR1H2NR1H3
SCHEMBL2873571 0.85 NR1H2 (0.49) NUDT1IDO1NR1H2NR1H3
SCHEMBL31305502 0.85 NR1H2 (0.49) NUDT1IDO1NR1H2NR1H3
SCHEMBL2868739 0.85 ADORA2A (0.42) ADORA2AADORA1IDO1RNASEH1PNP
SCHEMBL26110895 0.85 ADORA2A (0.42) ADORA2AADORA1RNASEH1PNPTSHR
SCHEMBL31305401 0.85 ADORA2A (0.42) ADORA2AADORA1RNASEH1PNPTSHR

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-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 — — CN disclosed
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