SCHEMBL9873702

SCHEMBL9873702

CCCCCCCCCCCCn1nnc(NC(=O)N(c2c(C(C)C)cccc2C(C)C)C(Br)CCCCCCCCCCC)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 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
SCHEMBL9113426 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9873666 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9873178 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9873057 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9114789 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9873430 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9872933 0.78 LMNA (0.52) LMNAPOLB
SCHEMBL9873695 0.76 MEN1 (0.48) LMNAPOLBRAB9ANPC1KMT2A
SCHEMBL9873092 0.73 LMNA (0.56) LMNAPOLBRAB9ANPC1KMT2A
SCHEMBL9135952 0.71

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
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed