SCHEMBL8623917

SCHEMBL8623917

Cc1c([N+](=O)[O-])cc(O)c2nn[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
SNCA P37840 1/20 0.37
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9171930 0.82 GPR35 (0.37) GPR35SMN1; SMN2SNCACYP1A2ALOX15
Silver SCHEMBL9171918 0.82 GPR35 (0.37) GPR35SMN1; SMN2SNCACYP1A2ALOX15
SCHEMBL10627192 0.76 MAPT (0.46) GPR35SMN1; SMN2CTSBCTSHCYP1A2
Silver SCHEMBL9172484 0.75 MAPT (0.45) GPR35SMN1; SMN2CTSBCTSHCYP1A2
SCHEMBL9172490 0.75 MAPT (0.45) GPR35SMN1; SMN2CTSBCTSHCYP1A2
SCHEMBL27627286 0.75 MEN1 (0.35) SMN1; SMN2CYP1A2ALDH1A1MAPTKMT2A
SCHEMBL10627053 0.74 GPR35 (0.44) GPR35SMN1; SMN2CTSBCYP1A2ALOX15
Silver SCHEMBL9638072 0.73 GPR35 (0.43) GPR35SMN1; SMN2CTSBCYP1A2ALOX15
SCHEMBL9638088 0.73 GPR35 (0.43) GPR35SMN1; SMN2CTSBCYP1A2ALOX15
SCHEMBL5702739 0.73 GPR35 (0.46) GPR35CTSBCYP1A2ALOX15ALOX12

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
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed