SCHEMBL9515068

SCHEMBL9515068

Cc1cc(N)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 4/20 0.52
TSHR P16473 4/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
PDE7A Q13946 1/20 0.44
CD44 P16070 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL10877228 0.92 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL404330 0.85 CD44 (0.54) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL30578482 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL11219818 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL30578459 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL11207797 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL29804082 0.84 TSHR (0.48) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL3175084 0.84 TSHR (0.48) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL1725673 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL8406658 0.82 MAPT (0.57) ALDH1A1CYP3A4TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416118-B1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KK (JP) 1993-12-29 EP claimed
US-5041672-A Process for preparing p-phenylenediamines NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-08-20 US claimed
EP-0416118-A1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP claimed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 US claimed
JP-4059750-A None JP disclosed
EP-0416118-B1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KK (JP) 1993-12-29 EP disclosed
JP-H0459750-A PRODUCTION OF NITROANILINES NIPPON KAYAKU CO LTD 1992-02-26 JP disclosed
US-5041672-A Process for preparing p-phenylenediamines NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0416118-A1 PRODUCTION OF p-PHENYLENEDIAMINES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 US disclosed
US-4083845-A DYEING CELLULOSE FIBER BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed