SCHEMBL2332893

SCHEMBL2332893

NC(=O)c1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MAP4K4 O95819 4/20 0.43
PARP10 Q53GL7 2/20 0.42
PARP4 Q9UKK3 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
MKNK1 Q9BUB5 8/20 0.42
MKNK2 Q9HBH9 8/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CAMKK2 Q96RR4 1/20 0.40
CYP17A1 P05093 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL11509763 0.85 RXFP1 (0.42) MAPK1ALDH1A1KMT2A
SCHEMBL14234069 0.84 KDM4E (0.45) ALDH1A1
SCHEMBL28030315 0.82 XDH (0.51) KMT2A
SCHEMBL28305325 0.81 XDH (0.54) KMT2AMKNK1MKNK2
SCHEMBL11016327 0.80 CCNT1 (0.45) MAPK1PARP1
SCHEMBL13078874 0.80 METAP2 (0.32)
SCHEMBL22530619 0.79 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2ACA1CA2
SCHEMBL27804563 0.77 MAPT (0.43) MAPK1ALDH1A1KMT2AMKNK1MKNK2
SCHEMBL23304045 0.77 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL11697638 0.76 PTPN1 (0.41) ALDH1A1KMT2A

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-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed