SCHEMBL16404065

SCHEMBL16404065

Cc1nc(-c2c[nH]c(C(=O)N3CCC3)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.64
ATP4B P51164 2/20 0.64
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 5/20 0.60
NPC1 O15118 4/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
RHOA P61586 2/20 0.42
MGLL Q99685 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL14318291 0.97 ATP4A (0.67) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14318276 0.96 ATP4A (0.69) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404152 0.89 ATP4A (0.54) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404112 0.86 ATP4A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14306191 0.85 ATP4A (0.51) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404143 0.85 ATP4A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404123 0.85 ATP4A (0.56) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14318274 0.84 HPGD (0.51) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404080 0.84 ATP4A (0.50) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404141 0.84 ATP4A (0.52) ATP4AATP4BRAB9AALDH1A1NPC1

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed