SCHEMBL6777351

SCHEMBL6777351

Cc1nc(N)c2nc(C)n(CCNC(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.41
NAMPT P43490 1/20 0.40
CHRM4 P08173 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL6776784 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10GLAHPGDKDM4E
SCHEMBL6772950 0.85 FAAH (0.53) ALDH1A1HSD17B10GLAHPGDKDM4E
SCHEMBL6782875 0.84 MAPT (0.47) ALDH1A1HSD17B10MAPTMEN1LMNA
SCHEMBL6778469 0.84 HDAC3 (0.45) ALDH1A1HSD17B10GLAHPGDKDM4E
SCHEMBL6777601 0.83 MEN1 (0.48) CA12CA1CA2CA4CA7
SCHEMBL6773506 0.80 NPC1 (0.47) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL6781809 0.80 POLB (0.42) ALDH1A1GLAHPGDKDM4EGAA
SCHEMBL6779590 0.79 MAPKAPK2 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL6778719 0.79 KMT2A (0.48) ALDH1A1HSD17B10MAPTLMNAHTT
SCHEMBL6774657 0.79 MAPT (0.49) ALDH1A1GLAHPGDKDM4EGAA

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