SCHEMBL6778719

SCHEMBL6778719

COc1cccc(NC(=O)NCCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.48
HTR2A P28223 4/20 0.47
CCR3 P51677 3/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CASR P41180 1/20 0.45
NPY1R P25929 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6782875 0.95 MAPT (0.47) KMT2APKMHSD17B10ALOX15HTR2A
SCHEMBL6777586 0.88 PKM (0.47) KMT2APKMHSD17B10ALOX15HTR2A
SCHEMBL6783335 0.88 CCR3 (0.46) KMT2AHTR2ACCR3MAPTLMNA
SCHEMBL6772950 0.87 FAAH (0.53) PKMHSD17B10CCR3MAPTLMNA
SCHEMBL6778012 0.86 CCR3 (0.45) KMT2AHSD17B10CCR3MAPTLMNA
SCHEMBL6779684 0.86 MCHR1 (0.50) KMT2AHSD17B10MAPTNPC1RAB9A
SCHEMBL6779342 0.85 TP53 (0.51) KMT2AMAPTNPC1RAB9AHTT
SCHEMBL6776742 0.85 CCR3 (0.48) HTR2ACCR3NPC1RAB9A
SCHEMBL6779213 0.83 KMT2A (0.49) KMT2APKMHSD17B10ALOX15HTR2A
SCHEMBL6773506 0.82 NPC1 (0.47) KMT2AHSD17B10CCR3MAPTNPC1

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