SCHEMBL6782875

SCHEMBL6782875

COc1cccc(NC(=O)NCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CASR P41180 1/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 3/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.44
CISD2 Q8N5K1 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR2A P28223 1/20 0.42
CCR3 P51677 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 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
SCHEMBL6778719 0.95 KMT2A (0.48) MAPTRAB9ANPC1LMNANFKB1
SCHEMBL6773506 0.87 NPC1 (0.47) MAPTRAB9ANPC1KMT2AHTT
SCHEMBL6776784 0.86 ALDH1A1 (0.48) LMNAKMT2AHTTHSD17B10MEN1
SCHEMBL6773842 0.85 SMN1; SMN2 (0.50) MAPTRAB9ANPC1KMT2AHTT
SCHEMBL6777400 0.85 CCR3 (0.45) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL6777586 0.83 PKM (0.47) MAPTRAB9ANPC1LMNANFKB1
SCHEMBL6783335 0.82 CCR3 (0.46) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL6772950 0.81 FAAH (0.53) MAPTRAB9ALMNAPKMHTT
SCHEMBL6779213 0.81 KMT2A (0.49) MAPTRAB9ANPC1LMNANFKB1
SCHEMBL6778012 0.80 CCR3 (0.45) MAPTRAB9ALMNAKMT2AHTT

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