SCHEMBL11535873

SCHEMBL11535873

Cc1nnsc1C(=O)NC1CCCC(C)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.42
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL11537335 0.86 LMNA (0.50) KMT2ALMNARAB9ANPC1ALDH1A1
SCHEMBL11535600 0.84 LMNA (0.52) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL11538814 0.84 LMNA (0.52) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL11536712 0.84 LMNA (0.52) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL11538234 0.83 NPC1 (0.52) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL11538275 0.82 LMNA (0.50) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL11543640 0.81 CA12 (0.43) CA12CA9RAB9ANPC1ALDH1A1
SCHEMBL11537657 0.75 TAS1R3 (0.51) KMT2ALMNA
SCHEMBL11273734 0.71 MEN1 (0.36) KMT2AMEN1LMNARAB9AGFER
SCHEMBL23573418 0.70 EPHX1 (0.42) CA12CA9RAB9ANPC1ALDH1A1

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed