SCHEMBL5702802

SCHEMBL5702802

O=[N+]([O-])c1c(O)ccc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.40
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 2/20 0.36
NPC1 O15118 2/20 0.36
CTSB P07858 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
CASP6 P55212 2/20 0.36
BRD4 O60885 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL3728212 0.81 TSHR (0.37) GPR35MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL32679425 0.81 TSHR (0.37) GPR35MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11756919 0.80 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3214378 0.80 HSD17B10 (0.38) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL1023472 0.80 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31500735 0.80 TYMS (0.36) GPR35MEN1KMT2AMAPTKDM4E
SCHEMBL13318794 0.78 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6052169 0.77 GPR35 (0.44) GPR35MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9168064 0.75 GPR35 (0.43) GPR35MEN1KMT2AMAPTSMN1; SMN2
Silver SCHEMBL9168054 0.75 GPR35 (0.43) GPR35MEN1KMT2AMAPTSMN1; 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 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-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
WO-2005049697-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2005-06-02 WO disclosed