SCHEMBL11322508

SCHEMBL11322508

O=C(O)c1cnc2ccc([N+](=O)[O-])cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
PARP1 P09874 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALK Q9UM73 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EIF4A1 P60842 2/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
S100A4 P26447 1/20 0.44
MAPT P10636 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL7687461 0.90 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL538711 0.81 SMN1; SMN2 (0.54) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL30175863 0.79 LMNA (0.55) ALDH1A1TDP1CYP3A4ALOX15PARP1
SCHEMBL15320353 0.76 VCAM1 (0.47) ALDH1A1PARP1MEN1KMT2AALK
SCHEMBL398640 0.76 DHODH (0.47) ALDH1A1PARP1MEN1KMT2ATP53
SCHEMBL741418 0.76 HTT (0.55) ALDH1A1TDP1ALOX15MEN1KMT2A
SCHEMBL12850079 0.76 HSD17B10 (0.41) ALDH1A1MEN1KMT2AHTTMCL1
SCHEMBL30819200 0.76 ALDH1A1 (0.49) ALDH1A1PARP1MEN1KMT2ASMN1; SMN2
SCHEMBL12786944 0.76 ALDH1A1 (0.49) ALDH1A1PARP1MEN1KMT2ASMN1; SMN2
SCHEMBL6202230 0.76 ALDH1A1 (0.50) ALDH1A1PARP1MEN1KMT2ASMN1; SMN2

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-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 US disclosed