SCHEMBL10620482

SCHEMBL10620482

COC(=O)Nc1c(C#N)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 9/20 0.42
GABRP O00591 8/20 0.42
GABRD O14764 8/20 0.42
GABRA1 P14867 8/20 0.42
GABRB1 P18505 8/20 0.42
GABRG2 P18507 8/20 0.42
GABRA5 P31644 8/20 0.42
GABRA3 P34903 8/20 0.42
GABRA2 P47869 8/20 0.42
GABRB2 P47870 8/20 0.42
GABRA4 P48169 8/20 0.42
GABRE P78334 8/20 0.42
GABRA6 Q16445 8/20 0.42
GABRG1 Q8N1C3 8/20 0.42
GABRG3 Q99928 8/20 0.42
GABRQ Q9UN88 8/20 0.42
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11094838 0.89 PTGS1 (0.47) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL10618525 0.87 AR (0.37) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11088014 0.87 GABRP (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11090922 0.87 SMN1; SMN2 (0.50) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11091533 0.86 MAPT (0.39) CYP3A4ARPTGS1PTGS2ALDH1A1
SCHEMBL10509024 0.86 PTGS1 (0.36) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11088018 0.86 PTGS1 (0.41) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11092625 0.86 PTGS1 (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11089201 0.84 PTGS1 (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL11094132 0.84 PTGS1 (0.46) GABRB3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US claimed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP 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-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed