SCHEMBL9458706

SCHEMBL9458706

N#Cc1cnn(-c2ccc(OC(F)(F)F)cc2Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
BTK Q06187 5/20 0.40
XDH P47989 2/20 0.38
MAPT P10636 2/20 0.36
NT5E P21589 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.36
NPBWR1 P48145 2/20 0.35
MCHR1 Q99705 2/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL10737936 0.86 CHRM5 (0.35) BTKMAPTNT5EMAPK1RECQL
SCHEMBL10738468 0.85 TRPA1 (0.34) KMT2AKDM4EMEN1BTKMAPT
SCHEMBL10675871 0.83 PKM (0.40) BTKNT5ENPBWR1MCHR1
SCHEMBL9526287 0.81 KMT2A (0.47) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL10673303 0.80 CDK2 (0.37) KDM4ENT5EL3MBTL1NPBWR1MCHR1
SCHEMBL840418 0.80 KMT2A (0.61) KMT2AKDM4EMEN1BTKXDH
SCHEMBL10608500 0.79 KMT2A (0.49) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL8344043 0.79 KMT2A (0.62) KMT2AKDM4EMEN1XDHMAPT
SCHEMBL9458759 0.79 NPBWR1 (0.37) BTKMAPTMAPK1RECQLL3MBTL1
SCHEMBL10501862 0.79 PIM1 (0.36) NPBWR1MCHR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256634-A Herbicidal agents based on pyrazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5104439-A HERBICIDAL AGENTS BASED ON PYRAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
US-4882437-A HERBICIDES; CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
EP-0222253-B1 SUBSTITUTED 5-AMINO-1-ARYL-PYRAZOLES BAYER AG (DE) 1989-04-05 EP disclosed
EP-0138149-B1 5-ACYLAMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP disclosed
EP-0173821-B1 SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP disclosed
EP-0171544-B1 SUBSTITUTED 5-ACYLAMINO-1-PHENYLPYRAZOLES BAYER AG (DE) 1989-01-04 EP disclosed
US-4791212-A HERBICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0154115-B1 HERBICIDAL COMPOSITIONS BASED ON DERIVATIVES OF PYRAZOLES BAYER AG (DE) 1988-10-26 EP disclosed
EP-0282811-A1 4-Cyano-1-aryl-pyrazoles BAYER AG (DE) 1988-09-21 EP disclosed
US-4685956-A 1-aryl-5-hydrazino-pyrazoles, compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
US-4668280-A Herbicidally active substituted 5-acylamino-1-phenylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP disclosed
EP-0213610-A1 Azetidin-2-one derivatives and process for production thereof LEDERLE (JAPAN) LTD. (JP) 1987-03-11 EP disclosed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP disclosed
US-4614533-A Herbicidal 5-amino-1-phenylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP disclosed
EP-0171544-A1 Substituted 5-acylamino-1-phenylpyrazoles BAYER AG (DE) 1986-02-19 EP disclosed
EP-0154115-A1 Herbicidal compositions based on derivatives of pyrazoles BAYER AG (DE) 1985-09-11 EP disclosed
EP-0138149-A2 5-Acylamino-1-phenyl pyrazoles BAYER AG (DE) 1985-04-24 EP disclosed