SCHEMBL16455342

SCHEMBL16455342

CNc1nccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
GALR2 O43603 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL10967877 0.80 ALDH1A1 (0.46) MAPTALDH1A1HSD17B10LMNAPOLB
SCHEMBL5988485 0.76 PARG (0.47) MAPTALDH1A1HSD17B10LMNAMEN1
SCHEMBL28284190 0.76 MEN1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28171570 0.76 MEN1 (0.44) MAPTALDH1A1HSD17B10LMNAMEN1
SCHEMBL6196774 0.76 MEN1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30573352 0.76 PARG (0.47) MAPTALDH1A1HSD17B10LMNAMEN1
SCHEMBL5990018 0.76 CDC7 (0.47) ALDH1A1MEN1KMT2APARP1CYP3A4
SCHEMBL3960657 0.76 EGFR (0.67) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5989853 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL6594656 0.76 ALDH1A1 (0.41) MAPTALDH1A1LMNAMEN1KMT2A

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-2015018356-A1 DIARYLHYDANTOIN DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 上海医药集团股份有限公司 (CN) 2015-02-12 WO disclosed