SCHEMBL8686325

SCHEMBL8686325

Nc1ccc2cc([N+](=O)[O-])ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 2/20 0.56
RAB9A P51151 2/20 0.56
TLR9 Q9NR96 1/20 0.56
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 4/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 3/20 0.50
PDE7A Q13946 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 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
SCHEMBL3828629 0.94 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL28122579 0.87 TSHR (0.59) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL28338203 0.82 TSHR (0.54) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL3829978 0.80 TSHR (0.56) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL11424504 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL31473179 0.79 MEN1 (0.52) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL10172981 0.79 CYP19A1 (0.64) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL57616 0.78 LMNA (0.56) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL29929890 0.78 LMNA (0.56) ALDH1A1KMT2AMAPTMEN1LMNA
4-Nitroaniline SCHEMBL16451 0.77 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 CN claimed
JP-2066523-A None JP disclosed
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 CN disclosed
US-5811492-A HAVING EXCELLENT HEAT, FIRE, CHEMICAL AND IMPACT RESISTANCE, MECHANICAL STRENGTH, AND MOLDABILITY; CONTAINING AMINO GROUPS, HYDROGENATED BLOCK COPOLYMER AND A POLYAMIDE RESIN GENERAL ELECTRIC COMPANY (US) 1998-09-22 US disclosed
JP-H0266523-A ORGANIC NONLINEAR OPTICAL THIN FILM ELEMENT OKI ELECTRIC IND CO LTD 1990-03-06 JP disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US disclosed