SCHEMBL2868906

SCHEMBL2868906

Clc1ccc(Cc2nc(-c3cc(Cl)ccc3Cl)c[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
RORC P51449 2/20 0.41
AGPAT2 O15120 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
CXCR2 P25025 2/20 0.36
HSP90AB1 P08238 1/20 0.36
PTPN1 P18031 1/20 0.35
DAO P14920 1/20 0.35
NR1H2 P55055 2/20 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
SCHEMBL26110557 0.92 CXCR2 (0.45) IDO1RORCALDH1A1RXFP1HTR2B
SCHEMBL27967661 0.92 ADORA2A (0.41) IDO1RORCALDH1A1RXFP1HTR2B
SCHEMBL28399055 0.90 RAB9A (0.40) IDO1RORCAGPAT2ALDH1A1RXFP1
SCHEMBL28812735 0.90 IDO1 (0.41) IDO1RORCAGPAT2ALDH1A1RXFP1
SCHEMBL31305442 0.88 CXCR2 (0.43) PRNPMAPTCXCR2HSP90AB1
SCHEMBL2867224 0.88 CXCR2 (0.43) PRNPMAPTCXCR2HSP90AB1
SCHEMBL26110161 0.87 CYP2A6 (0.39) IDO1RORCALDH1A1MAPTCXCR2
SCHEMBL28397353 0.86 IDO1 (0.38) IDO1RORCAGPAT2ALDH1A1RXFP1
SCHEMBL2872330 0.85 NR1H2 (0.47) IDO1ALDH1A1PRNPMAPTHSP90AB1
SCHEMBL27967894 0.85 IDO1 (0.42) IDO1RORCAGPAT2ALDH1A1RXFP1

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