SCHEMBL6878673

SCHEMBL6878673

CC(C)c1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
NFKB1 P19838 1/20 0.39
EPHX2 P34913 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 2/20 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
SCHEMBL6878669 1.00 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6868513 0.90 NPSR1 (0.50) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6868508 0.90 NPSR1 (0.50) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6878795 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6878792 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6878845 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6878840 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6875306 0.89 EPHX1 (0.54) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6456275 0.89 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1LMNAHTT
SCHEMBL6456286 0.89 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1LMNAHTT

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed