SCHEMBL6773506

SCHEMBL6773506

CC(=O)c1cccc(NC(=O)NCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.44
CCR3 P51677 2/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6783335 0.94 CCR3 (0.46) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL6776784 0.88 ALDH1A1 (0.48) KDM4EKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL6777152 0.87 MAPT (0.45) NPC1MAPTKDM4EKMT2ACCR3
SCHEMBL6782875 0.87 MAPT (0.47) NPC1RAB9AMAPTKMT2ACCR3
SCHEMBL6777400 0.86 CCR3 (0.45) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL6772950 0.82 FAAH (0.53) RAB9AMAPTKDM4ECCR3SMN1; SMN2
SCHEMBL6781852 0.82 CCR3 (0.42) NPC1RAB9AMAPTKDM4ECCR3
SCHEMBL6778012 0.82 CCR3 (0.45) RAB9AMAPTKDM4EKMT2ACCR3
SCHEMBL6778719 0.82 KMT2A (0.48) NPC1RAB9AMAPTKMT2ACCR3
SCHEMBL6776742 0.81 CCR3 (0.48) NPC1RAB9ACCR3SMN1; SMN2

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed