SCHEMBL27967633

SCHEMBL27967633

Clc1cccc(Cc2nc(-c3cccc(Cl)c3Cl)c[nH]2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.42
▸ PNMT P11086 1/20 0.40
▸ NUDT1 P36639 3/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ DBH P09172 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL2871613 0.93 TAAR1 (0.39) IDO1PNMTP2RX7TAAR1MEN1
SCHEMBL28812713 0.93 IDO1 (0.41) IDO1PNMTNUDT1P2RX7PTPN11
SCHEMBL26110844 0.88 P2RX7 (0.46) IDO1P2RX7TAAR1CYP2D6MAPK1
SCHEMBL26113158 0.88 P2RX7 (0.41) IDO1PNMTP2RX7GPR84ADRA1A
SCHEMBL27967787 0.87 TAAR1 (0.46) IDO1NUDT1P2RX7TAAR1PTPN11
SCHEMBL27967666 0.87 PNMT (0.41) IDO1PNMTTAAR1DBHMEN1
SCHEMBL27967731 0.85 IDO1 (0.38) IDO1PNMTP2RX7TAAR1PTPN1
SCHEMBL2873520 0.85 P2RX7 (0.44) IDO1NUDT1P2RX7PTPN11MEN1
SCHEMBL27967654 0.85 P2RX7 (0.44) IDO1NUDT1P2RX7PTPN11PTPN1
SCHEMBL26111828 0.85 HSP90AA1 (0.37) PNMTP2RX7MEN1KMT2ACXCR2

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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