SCHEMBL6777932

SCHEMBL6777932

CC(=O)c1cccc(NC(=O)NCCCCn2cnc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CCR3 P51677 8/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
QPCT Q16769 3/20 0.39
MCHR1 Q99705 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL6777509 0.89 FAAH (0.47) MAPTKDM4EKMT2AGAAHPGD
SCHEMBL6779213 0.88 KMT2A (0.49) MAPTCCR3NPC1RAB9AKMT2A
SCHEMBL6783081 0.88 MAPT (0.42) MAPTKDM4ECCR3SMN1; SMN2NPC1
SCHEMBL6897844 0.87 CCR3 (0.46) MAPTCCR3SMN1; SMN2NPC1RAB9A
SCHEMBL6783335 0.82 CCR3 (0.46) MAPTKDM4ECCR3SMN1; SMN2NPC1
SCHEMBL6778468 0.82 HDAC3 (0.49) MAPTCCR3SMN1; SMN2NPC1KMT2A
SCHEMBL6768483 0.81 DRD3 (0.44) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6098139 0.81 DYRK1A (0.37) KDM4ERXFP1
SCHEMBL6773196 0.80 ALDH1A1 (0.39) KMT2A
SCHEMBL6773506 0.80 NPC1 (0.47) MAPTKDM4ECCR3TSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN claimed
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