SCHEMBL14337126

SCHEMBL14337126

Cc1c(NC=O)cc(C(N)=O)c2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.38
▸ NNMT P40261 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ GDA Q9Y2T3 1/20 0.30

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
SCHEMBL4638871 0.90 PARP1 (0.38) PARP1NNMTSYKPDPK1GDA
SCHEMBL14337344 0.90 PARP1 (0.38) PARP1NNMTSYKPDPK1GDA
SCHEMBL4638632 0.80 IP6K1 (0.36) PDPK1
SCHEMBL14035177 0.77 PARP1 (0.43) PARP1NNMTPDPK1GDA
SCHEMBL5521728 0.76 RXFP1 (0.34) PDPK1
SCHEMBL14035182 0.72 MEN1 (0.42) PARP1
SCHEMBL4638949 0.70 IP6K1 (0.34) PDPK1
SCHEMBL4639102 0.69 PARP1 (0.43) PARP1NNMTPDPK1GDA
SCHEMBL14347857 0.68 PARP1 (0.49) PARP1NNMTPDPK1GDA
SCHEMBL14348180 0.65 PARP1 (0.53) PARP1NNMTPDPK1GDA

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-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 — — US disclosed
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