SCHEMBL9684131

SCHEMBL9684131

C=C(OC)c1c(C(F)(F)F)ncn(-c2c(Cl)cc(C(F)(F)F)cc2C#N)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
GABRP O00591 6/20 0.35
GABRD O14764 6/20 0.35
GABRA1 P14867 6/20 0.35
GABRB1 P18505 6/20 0.35
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA5 P31644 6/20 0.35
GABRA3 P34903 6/20 0.35
GABRA2 P47869 6/20 0.35
GABRB2 P47870 6/20 0.35
GABRA4 P48169 6/20 0.35
GABRE P78334 6/20 0.35
GABRA6 Q16445 6/20 0.35
GABRG1 Q8N1C3 6/20 0.35
GABRG3 Q99928 6/20 0.35
GABRQ Q9UN88 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DDR1 Q08345 1/20 0.33

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
SCHEMBL9683202 0.90 GABRP (0.37) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9685317 0.86 GAA (0.38) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9582428 0.81 GAA (0.40) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9683955 0.79 GAA (0.38) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9580912 0.79 GAA (0.36) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9684814 0.77 GAA (0.37) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9581337 0.77 GAA (0.38) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9684115 0.77 GAA (0.36) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9582286 0.74 GABRA2 (0.38) GAAGABRPGABRDGABRA1GABRB1
SCHEMBL9582023 0.71 GABRA2 (0.36) GAAGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 EP disclosed