SCHEMBL17849580

SCHEMBL17849580

CC(C)(C)NC(=O)Nc1cc(NC(=O)Nc2cc(NC(=O)NC(C)(C)C)cc(NC(=O)NC(C)(C)C)c2)cc(NC(=O)Nc2cc(NC(=O)NC(C)(C)C)cc(NC(=O)NC(C)(C)C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KDM4E B2RXH2 3/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.44
S1PR2 O95136 1/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL13756247 0.84 RAB9A (0.81) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL21116152 0.84 HTT (0.61) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4354002 0.81 MEN1 (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL21116149 0.81 MAPT (0.69) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4351163 0.81 HTT (0.58) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4350367 0.81 HTT (0.62) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL26761199 0.79 ALDH1A1 (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9285165 0.78 NPC1 (0.67) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL11873457 0.78 NPSR1 (0.61) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5852111 0.77 RAB9A (0.70) MEN1KMT2ANPC1RAB9AKDM4E

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-9371403-B2 Hydrogenation of diene-based polymers LANXESS DEUTSCHLAND GMBH (DE) 2016-06-21 US disclosed