SCHEMBL4400136

SCHEMBL4400136

Clc1nnn(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.53
RAB9A P51151 8/20 0.53
MAPT P10636 5/20 0.53
PKM P14618 1/20 0.53
ABCG2 Q9UNQ0 4/20 0.50
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP8 Q14790 1/20 0.42
ABCB1 P08183 2/20 0.40
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL4410795 0.76 NPC1 (0.55) NPC1RAB9AMAPTPKMABCG2
SCHEMBL2207537 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL4406572 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL6269910 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL54820 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL4187230 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL6269913 0.74 ABCG2 (0.50) NPC1RAB9AMAPTPKMABCG2
SCHEMBL4404185 0.74 ABCG2 (0.46) NPC1RAB9AMAPTPKMABCG2
SCHEMBL23625647 0.72 NPC1 (0.71) NPC1RAB9AMAPTPKMABCG2
SCHEMBL2210517 0.72 NPC1 (0.77) NPC1RAB9AMAPTPKMABCG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459262-A Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1995-10-17 US claimed
CN-1091734-A The preparation method of phenylbenzamaide derivatives RHONE POULEND AGROCHIMIE (FR) 1994-09-07 CN claimed
EP-0611232-A1 Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1994-08-17 EP claimed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-5459262-A Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1995-10-17 US disclosed
CN-1091734-A The preparation method of phenylbenzamaide derivatives RHONE POULEND AGROCHIMIE (FR) 1994-09-07 CN disclosed
EP-0611232-A1 Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1994-08-17 EP disclosed