SCHEMBL6773576

SCHEMBL6773576

Cc1nc(N)c2nc(C)n(CCCNC(=O)NS(=O)(=O)c3ccccc3Cl)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TBXA2R P21731 1/20 0.35
BMP1 P13497 1/20 0.35
PTGER4 P35408 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL6783001 0.95 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL6777785 0.88 TLR7 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL6777661 0.84 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL6777660 0.82 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL6772950 0.80 FAAH (0.53) KDM4EALDH1A1LMNAGAA
SCHEMBL6775775 0.77 EPHX1 (0.37) KDM4EALDH1A1GAA
SCHEMBL6774292 0.76 ALDH1A1 (0.47) ALDH1A1GAA
SCHEMBL6094589 0.75 DYRK1A (0.37) KDM4E
SCHEMBL6779812 0.75 SCN1A (0.48) KDM4EALDH1A1AGTR1AGTR2
SCHEMBL6777836 0.75 TLR7 (0.43) ALDH1A1PPARGLMNA

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