SCHEMBL14979150

SCHEMBL14979150

CCC#CCN1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM1 P11229 9/20 0.37
CHRM2 P08172 8/20 0.37
CHRM4 P08173 8/20 0.37
CHRM5 P08912 8/20 0.37
CHRM3 P20309 8/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2443906 0.81 LMNA (0.42) LMNAMEN1KMT2ACHRM1CHRM2
SCHEMBL13619671 0.81 KMT2A (0.39) LMNAMEN1KMT2ACHRM1CHRM2
SCHEMBL2386769 0.79 LMNA (0.41) LMNAMEN1KMT2ACHRM1CHRM2
SCHEMBL23499590 0.77 KMT2A (0.39) LMNAMEN1KMT2ACHRM1CHRM2
SCHEMBL12794007 0.76 CHRM1 (0.40) MEN1KMT2ACHRM1CHRM2CHRM4
SCHEMBL2611011 0.76 GAA (0.36) LMNAMEN1KMT2ACHRM1CHRM2
SCHEMBL13296397 0.76 POLB (0.49) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL5279915 0.75 LMNA (0.74) LMNACHRM1CHRM2CHRM4CHRM5
SCHEMBL21421564 0.74 LMNA (0.44) LMNAALDH1A1NPSR1
SCHEMBL1599849 0.73 KMT2A (0.38) LMNAMEN1KMT2ANPC1ALDH1A1

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-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed