SCHEMBL8838403

SCHEMBL8838403

COCc1cnc2c([N+](=O)[O-])cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
DCTPP1 Q9H773 1/20 0.41
LMNA P02545 7/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 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
SCHEMBL8838437 0.81 PDE10A (0.55) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL8838373 0.81 PDE10A (0.51) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL26964296 0.80 PDE10A (0.54) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
Bromide SCHEMBL8838451 0.80 PDE10A (0.50) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL27397063 0.79 PDE10A (0.53) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10319610 0.78 PDE10A (0.55) PDE10AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL8838482 0.77 PDE10A (0.44) PDE10ALMNAPARP1KDM4ETDP1
SCHEMBL8099182 0.77 PDE4A (0.40) ALDH1A1PARP1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8811070 0.77 HPGDS (0.56) PDE10AMEN1KMT2ALMNAMAPT
SCHEMBL7589324 0.77 KDM4E (0.57) PDE10AMEN1KMT2ARAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089758-C Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 2002-08-28 CN disclosed
US-5625068-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
CN-1138035-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 1996-12-18 CN disclosed
EP-0747361-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed