SCHEMBL9327604

SCHEMBL9327604

CC(C)(C)c1cc(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
GALR3 O60755 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 1/20 0.38
LMNA P02545 5/20 0.37
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
PDE7A Q13946 5/20 0.34
PDE7B Q9NP56 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9866027 1.00 KMT2A (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL6862903 0.91 GPR35 (0.37) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL6862899 0.91 GPR35 (0.37) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL6870907 0.91 MEN1 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL30200323 0.91 MEN1 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL6870910 0.91 MEN1 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL30200284 0.91 MEN1 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL9327701 0.88 SMN1; SMN2 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL9867287 0.88 SMN1; SMN2 (0.40) KMT2AMEN1HTTGALR3SMN1; SMN2
SCHEMBL6864246 0.85 GPR35 (0.44) KMT2AMEN1MAPK1TSHRGPR35

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
EP-0363318-B1 Process for the preparation of benzotriazole derivatives CIBA GEIGY AG (CH) 1994-03-02 EP disclosed
US-4999433-A Process for the preparation of benzotriazole derivatives CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
EP-0363318-A1 Process for the preparation of benzotriazole derivatives CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed
US-4230867-A REDUCTION, CYCLIZATION OF NITROAZOBENZENES CIBA-GEIGY CORPORATION (US) 1980-10-28 US disclosed
US-4219480-A REDUCTION OF UNDESIRED BY-PRODUCT AND EFFLUENT POLLUTION PROBLEMS CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4141903-A REDUCTION AND CYCLIZATION OF THE CORRESPONDING O-NITROAZOBENZENES WITH CARBON MONOXIDE USING A COPPER-AMINE COMPLEX AS CATALYST CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4041044-A BY REDUCTION OF CORRESPONDING O-NITRO-AZOBENZENES WITH ZINC IN AQUEOUS ALKALI METAL HYDROXIDE CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed