SCHEMBL11276512

SCHEMBL11276512

O=Cc1cccc2nc([N+](=O)[O-])ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ERN1 O75460 2/20 0.44
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 8/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 6/20 0.36
POLB P06746 2/20 0.36
RXRA P19793 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL31067260 0.78 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTTDP1THRB
SCHEMBL10532542 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ANCOA1NCOA3
SCHEMBL9171990 0.75 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1MAPTTDP1
SCHEMBL30081467 0.74 ALDH1A1 (0.51) ALDH1A1ERN1TDP1THRBKMT2A
SCHEMBL29950812 0.74 ERN1 (0.42) ALDH1A1ERN1RAB9ANPC1MAPT
SCHEMBL12152493 0.74 P2RX7 (0.41) ALDH1A1ERN1RAB9ANPC1MAPT
SCHEMBL371826 0.71 RAB9A (0.53) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL4872775 0.70 ERN1 (0.51) ALDH1A1ERN1MAPTTDP1KMT2A
SCHEMBL2998545 0.69 TERT (0.47) ALDH1A1ERN1RAB9ANPC1MAPT
SCHEMBL29956214 0.69 TERT (0.47) ALDH1A1ERN1RAB9ANPC1MAPT

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-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed