SCHEMBL6773238

SCHEMBL6773238

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=S)Nc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.46
MAPKAPK2 P49137 1/20 0.44
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.38
MDM2 Q00987 1/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38

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
SCHEMBL6778839 0.91 MAPKAPK2 (0.43) QPCTMAPKAPK2SMN1; SMN2MAPTGAA
SCHEMBL6782830 0.89 HPGD (0.54) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL6776249 0.85 QPCT (0.47) QPCTMAPKAPK2MAOBSMN1; SMN2MAPT
SCHEMBL6778794 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALDH1A1KMT2AHPGD
SCHEMBL6779782 0.84 QPCT (0.46) QPCTMAPKAPK2MAOBSMN1; SMN2MAPT
SCHEMBL6779540 0.82 MAPT (0.44) MAPTALDH1A1KMT2AHPGD
SCHEMBL6777534 0.81 TLR7 (0.36) MAPTALDH1A1LMNA
SCHEMBL6775204 0.81 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6776505 0.81 PKM (0.45) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL6779814 0.81 FAAH (0.47) MAPKAPK2MAPTALDH1A1LMNAKMT2A

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