SCHEMBL9769704

SCHEMBL9769704

O=[N+]([O-])c1ccc(Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.50
TGM2 P21980 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
PTPN1 P18031 2/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL40607 0.87 ALDH1A1 (0.60) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL11104408 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTGM2KDM4E
SCHEMBL30956245 0.84 HSD17B10 (0.53) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL7118572 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL7191427 0.84 HSD17B10 (0.53) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL1246299 0.84 KEAP1 (0.55) ALDH1A1TSHRHPGDMEN1MAPT
SCHEMBL10587696 0.84 ALDH1A1 (0.68) ALDH1A1TSHRHPGDMEN1MAPT
SCHEMBL29274282 0.84 NPC1 (0.61) ALDH1A1TSHRHPGDMEN1MAPT
SCHEMBL10650196 0.83 TDP1 (0.55) ALDH1A1TSHRPOLBKDM4EMEN1
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3127768-A None JP disclosed
JP-3227960-A None JP disclosed
JP-H03227960-A PRODUCTION OF POLYAMINODIPHENYLMETHANE SUMITOMO METAL IND LTD 1991-10-08 JP disclosed
JP-H03127768-A PREPARATION OF AROMATIC POLYCARBAMATE SUMITOMO METAL IND LTD 1991-05-30 JP disclosed
US-4650899-A STORAGE STABLE MIXTURE OF ISOMERS ATOCHEM (FR) 1987-03-17 US disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 US disclosed