SCHEMBL4744056

SCHEMBL4744056

CCCCCN(CCCCNC(=O)C1CC1C(=O)NCCCCN(CCCCC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL4746051 0.78 KMT2A (0.37) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14080627 0.77 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14080613 0.77 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14080566 0.77 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14080720 0.76 CNR2 (0.41) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4744059 0.75 KMT2A (0.35) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4743629 0.75 SMN1; SMN2 (0.39) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL4746857 0.75 SMN1; SMN2 (0.39) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL4746052 0.75 THRB (0.35) MEN1KMT2AFABP4LMNASMN1; SMN2
SCHEMBL4746853 0.74 CNR2 (0.36) MEN1KMT2ALMNASMN1; SMN2

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed