SCHEMBL7044651

SCHEMBL7044651

CC(=O)N1CCCN(c2nc3c(OC(N)=O)cccc3n2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SYK P43405 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CD O00329 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPK8 P45983 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35
KLK7 P49862 1/20 0.35
CASP7 P55210 1/20 0.35
ITGB3 P05106 1/20 0.35

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
SCHEMBL7038516 0.96 KMT2A (0.43) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL7042034 0.88 PRKCQ (0.39) MEN1KMT2AITGB3ITGAVPIM2
SCHEMBL7041380 0.85 MEN1 (0.40) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL7043195 0.84 PARP1 (0.37) MEN1KMT2A
SCHEMBL5620939 0.84 PARP1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1SYK
SCHEMBL7038533 0.83 PARP1 (0.47) ALDH1A1NPSR1
SCHEMBL7043340 0.82 CHRNB2 (0.39) MEN1KMT2A
SCHEMBL7044098 0.81 PARP1 (0.38) MEN1KMT2ALMNAHTT
SCHEMBL7043722 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL7040971 0.81 HTR7 (0.42) SMN1; SMN2ALDH1A1KDM4E

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
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed