SCHEMBL9873092

SCHEMBL9873092

CCCCn1nnc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL9873057 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9873178 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9113426 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9872933 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9114789 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9873430 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9873666 0.96 LMNA (0.52) LMNAPOLB
SCHEMBL9873695 0.91 MEN1 (0.48) LMNAPOLBRAB9ANPC1MEN1
SCHEMBL9872303 0.89 LMNA (0.45) LMNAPOLBRAB9ANPC1MEN1
SCHEMBL9872454 0.89 LMNA (0.45) LMNAPOLBRAB9ANPC1MEN1

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 claimed