SCHEMBL19992669

SCHEMBL19992669

Clc1ccc(-c2ccc(I)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ METAP2 P50579 2/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ GRM2 Q14416 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20862075 0.79 NPC1 (0.53) ALDH1A1RAB9ANPC1METAP2FYN
SCHEMBL20098748 0.79 KDM1A (0.49) KDM1AKDM4EALDH1A1RAB9ANPC1
SCHEMBL23632228 0.79 KDM1A (0.49) KDM1AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23504950 0.79 CYP11B1 (0.43) KDM1AMAOBKDM4EALDH1A1RAB9A
SCHEMBL15907498 0.79 NPC1 (0.49) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL15097694 0.78 LDHA (0.52) RAB9AMEN1KMT2A
SCHEMBL17860701 0.77 KDM1A (0.54) KDM1AMAOBNOTUMFYNKMO
SCHEMBL4390590 0.77 CCR1 (0.46) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2319868 0.75 KDM1A (0.49) KDM1AMAOBKDM4EALDH1A1RAB9A
SCHEMBL23018824 0.75 KDM1A (0.49) KDM1AMAOBKDM4EALDH1A1RAB9A

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
WO-2018051252-A2 NOVEL AMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND MITICIDE INSECTICIDES (INDIA) LIMITED (IN) 2018-03-22 — — WO disclosed
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