SCHEMBL11136394

SCHEMBL11136394

Cc1cccc(C)c1NC(=N)NC(=S)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
EPHX1 P07099 2/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.48
TAS2R38 P59533 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX12 P18054 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL11058402 0.94 LMNA (0.53) LMNAEPHX1ALDH1A1CYP3A4TAS2R38
SCHEMBL11054397 0.89 LMNA (0.51) LMNAALDH1A1CYP3A4ALOX12CYP1A2
SCHEMBL11280096 0.87 POLB (0.44) LMNAALDH1A1CYP3A4ALOX12CYP1A2
SCHEMBL20026950 0.83 LMNA (0.72) LMNAALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL11138510 0.82 LMNA (0.45) LMNAALDH1A1CYP3A4ALOX12CYP1A2
SCHEMBL11142824 0.81 ALOX12 (0.61) LMNAALDH1A1CYP3A4ALOX12CYP1A2
SCHEMBL11139014 0.81 HTT (0.50) LMNAEPHX1ALDH1A1CYP3A4TAS2R38
SCHEMBL11053555 0.80 ALOX12 (0.60) LMNAALDH1A1CYP3A4ALOX12CYP1A2
SCHEMBL11284346 0.79 POLB (0.47) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL11058243 0.79 LMNA (0.49) LMNAALDH1A1CYP3A4ALOX12CYP1A2

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-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed