SCHEMBL9526287

SCHEMBL9526287

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.41
GABRP O00591 4/20 0.40
GABRD O14764 4/20 0.40
GABRA1 P14867 4/20 0.40
GABRB1 P18505 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
GABRA4 P48169 4/20 0.40
GABRE P78334 4/20 0.40
GABRA6 Q16445 4/20 0.40
GABRG1 Q8N1C3 4/20 0.40
GABRG3 Q99928 4/20 0.40
GABRQ Q9UN88 4/20 0.40

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
SCHEMBL10554795 0.87 KDM4E (0.43) KMT2AKDM4EMEN1ALDH1A1GABRP
SCHEMBL9526641 0.85 KDM4E (0.41) KDM4EALDH1A1GABRPGABRDGABRA1
SCHEMBL10616226 0.85 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1XDH
Methane SCHEMBL10737246 0.83 KDM4E (0.39) KMT2AKDM4EMEN1ALDH1A1GABRP
SCHEMBL840418 0.83 KMT2A (0.61) KMT2AKDM4EMEN1ALDH1A1XDH
SCHEMBL8026458 0.83 GABRA2 (0.54) KMT2AKDM4EMEN1ALDH1A1GABRP
SCHEMBL10608500 0.82 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1XDH
SCHEMBL10848533 0.82 GABRA2 (0.53) KMT2AKDM4EMEN1ALDH1A1GABRP
SCHEMBL10848951 0.81 PKM (0.42) KDM4EALDH1A1GABRPGABRDGABRA1
SCHEMBL9527278 0.81 GABRP (0.41) KDM4EALDH1A1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084033-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-10-02 EP claimed
US-4505740-A Herbicidal 5-amino-4-cyano-1-phenyl-pyrazoles MAY & BAKER LIMITED (GB) 1985-03-19 US claimed
EP-0084033-A1 N-PHENYLPYRAZOLE DERIVATIVES. MAY & BAKER LTD (GB) 1983-07-27 EP claimed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO claimed
EP-0257296-B1 4-CYANO(NITRO)-5-OXY(THIO)-PYRAZOLE DERIVATIVES BAYER AG (DE) 1993-05-12 EP disclosed
US-4770692-A 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
EP-0257296-A1 4-Cyano(nitro)-5-oxy(thio)-pyrazole derivatives BAYER AG (DE) 1988-03-02 EP disclosed
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 US disclosed
EP-0084033-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-10-02 EP disclosed
US-4541963-A HERBICIDAL PENYLPYRAZOLE INTERMEDIATES MAY & BAKER LIMITED (GB) 1985-09-17 US disclosed
US-4505740-A Herbicidal 5-amino-4-cyano-1-phenyl-pyrazoles MAY & BAKER LIMITED (GB) 1985-03-19 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed
EP-0084033-A1 N-PHENYLPYRAZOLE DERIVATIVES. MAY & BAKER LTD (GB) 1983-07-27 EP disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed