SCHEMBL8026458

SCHEMBL8026458

N#Cc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 16/20 0.54
GABRB2 P47870 16/20 0.54
GABRB3 P28472 16/20 0.54
GABRP O00591 15/20 0.54
GABRD O14764 15/20 0.54
GABRA1 P14867 15/20 0.54
GABRB1 P18505 15/20 0.54
GABRG2 P18507 15/20 0.54
GABRA5 P31644 15/20 0.54
GABRA3 P34903 15/20 0.54
GABRA4 P48169 15/20 0.54
GABRE P78334 15/20 0.54
GABRA6 Q16445 15/20 0.54
GABRG1 Q8N1C3 15/20 0.54
GABRG3 Q99928 15/20 0.54
GABRQ Q9UN88 15/20 0.54
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10848533 0.99 GABRA2 (0.53) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10557714 0.86 GABRB3 (0.47) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL7961959 0.84 KMT2A (0.49) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10616201 0.83 KDM4E (0.47) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9310110 0.83 GABRB3 (0.48) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10769810 0.83 GABRB3 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10492263 0.83 KMT2A (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL6475236 0.83 KDM4E (0.49) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9526287 0.83 KMT2A (0.47) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10616527 0.83 KMT2A (0.44) GABRA2GABRB2GABRB3GABRPGABRD

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 21 patents — showing the first 20. 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
WO-2000063356-A2 HERBICIDAL SEED TREATMENT SYNGENTA PARTICIPATIONS AG (CH) 2000-10-26 WO disclosed
EP-0205022-B1 1-ARYL-5-ALKOXIMINOALKYL AMINO PYRAZOLES BAYER AG (DE) 1990-01-10 EP disclosed
EP-0222253-B1 SUBSTITUTED 5-AMINO-1-ARYL-PYRAZOLES BAYER AG (DE) 1989-04-05 EP disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
US-4740231-A 1-aryl-5-alkoximinoalkylamino-pyrazoles, composition containing them, herbicidal and plant-growth regulating method of using them, and intermediates in the preparation of them BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4695308-A Herbicidal substituted 5-amino-1-aryl-pyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP disclosed
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP 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
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed