SCHEMBL2863841

SCHEMBL2863841

Clc1ccc(Cc2nc(-c3cccc(Cl)c3Cl)c[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ NUDT1 P36639 2/20 0.37
▸ PRNP P04156 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CXCR2 P25025 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ P2RX7 Q99572 5/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL31305502 0.90 NR1H2 (0.49) IDO1NR1H2NR1H3NUDT1CXCR2
SCHEMBL2873571 0.90 NR1H2 (0.49) IDO1NR1H2NR1H3NUDT1CXCR2
SCHEMBL2872330 0.89 NR1H2 (0.47) IDO1NR1H2NR1H3PRNPMAPT
SCHEMBL28402507 0.88 P2RX7 (0.46) IDO1NR1H2NR1H3NUDT1MAPT
SCHEMBL27967650 0.88 NUDT1 (0.39) IDO1NR1H2NR1H3NUDT1CXCR2
SCHEMBL28812836 0.86 ADORA2A (0.43) IDO1NR1H2NR1H3NUDT1MAPK1
SCHEMBL26109099 0.84 ADORA2A (0.37) IDO1NR1H2NR1H3NUDT1CXCR2
SCHEMBL27967787 0.84 TAAR1 (0.46) IDO1NUDT1MAPK1CXCR2PTPN11
SCHEMBL27967682 0.84 MAPT (0.40) NR1H2NR1H3PRNPMAPTMAPK1
SCHEMBL28404731 0.84 IDO1 (0.38) IDO1NR1H2NR1H3NUDT1CXCR2

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
CN-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 — — CN disclosed
WO-2010016620-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-02-11 — — WO disclosed
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