SCHEMBL4455066

SCHEMBL4455066

O=[N+]([O-])c1ccccc1-n1cncn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.45
FBP1 P09467 1/20 0.43
PDE4B Q07343 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
SCHEMBL31009041 1.00 KMT2A (0.51) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL30542997 0.81 MAPT (0.47) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL14322049 0.79 MAPT (0.55) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL7445704 0.78 MAPT (0.65) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL29758132 0.78 MAPT (0.65) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL16168691 0.78 POLB (0.65) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL14321628 0.78 MAPT (0.53) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL9825103 0.76 CYP1A2 (0.54) KMT2AMAPTPOLBMEN1ALDH1A1
SCHEMBL30721391 0.75 KDM4E (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL30870551 0.75 KMT2A (0.42) KMT2AMAPTPOLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344325-A PI3K selective inhibitors 轩竹生物科技股份有限公司 2024-07-16 CN disclosed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed