SCHEMBL9872284

SCHEMBL9872284

CCCCCCCCCCn1nnc(NC(=O)Nc2c(C)cccc2C)n1.c1ccc(Cn2cnnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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 0.80 CYP1A2 (0.49) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9873178 0.74 LMNA (0.52)
SCHEMBL9872933 0.74 LMNA (0.52)
SCHEMBL9113426 0.74 LMNA (0.52)
SCHEMBL9114789 0.74 LMNA (0.52)
SCHEMBL9873057 0.74 LMNA (0.52)
SCHEMBL9873430 0.74 LMNA (0.52)
SCHEMBL9873666 0.74 LMNA (0.52)
SCHEMBL9872286 0.73 RAB9A (0.44) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL9873695 0.70 MEN1 (0.48) RAB9ANPC1MEN1KMT2A

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