SCHEMBL9873553

SCHEMBL9873553

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nnn(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
RIPK1 Q13546 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR1 Q92633 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9874162 0.85 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19RIPK1
SCHEMBL9873092 0.82 LMNA (0.56) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL9872454 0.80 LMNA (0.45) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL9872841 0.80 LMNA (0.45) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL9114789 0.80 LMNA (0.52) LMNA
SCHEMBL9113426 0.80 LMNA (0.52) LMNA
SCHEMBL9872303 0.80 LMNA (0.45) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL9873057 0.80 LMNA (0.52) LMNA
SCHEMBL9873430 0.80 LMNA (0.52) LMNA
SCHEMBL9872933 0.80 LMNA (0.52) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073565-A Atherosclerosis, anticholesterol WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed