SCHEMBL3626933

SCHEMBL3626933

O=C(ON=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HGFAC Q04756 1/20 0.49
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 4/20 0.49
MAPK1 P28482 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 3/20 0.48
POLB P06746 3/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3205838 0.82 RAB9A (0.55) MAPTALDH1A1SMN1; SMN2RAB9ACASP3
SCHEMBL3099247 0.80 KMT2A (0.47) MAPTALDH1A1HGFACSMN1; SMN2MEN1
SCHEMBL6417038 0.76 HGFAC (0.55) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL254774 0.76 CES1 (0.70) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL27459060 0.76 CES1 (0.65) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL27499697 0.76 CES1 (0.70) ALDH1A1CRHBPCRHR2CES2CES1
SCHEMBL270426 0.75 MEN1 (0.66) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL29588234 0.75 MEN1 (0.66) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL270425 0.75 MEN1 (0.66) MAPTALDH1A1CRHBPCRHR2CES2
SCHEMBL9670086 0.75 NPC1 (0.55) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150588-A2 POLYMERIC DYES BASED ON POLYMERIZABLE VINYL-GROUP CONTAINIG P-NITROPHENYL-AZO SALICYLIC ACID DERIVATIVES Benz Research and Development Corporation (US) 2010-02-10 EP disclosed
WO-2008134555-A2 POLYMERIC DYES BASED ON POLYMERIZABLE VINYL-GROUP CONTAINING P-NITROPHENYL-AZO SALICYLIC ACID DERIVATIVES BENZ RESEARCH AND DEVELOPMENT CORPORATION (US) 2008-11-06 WO disclosed