SCHEMBL10690095

SCHEMBL10690095

O=c1ccccn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.41
GABRB2 P47870 6/20 0.41
ALDH1A1 P00352 4/20 0.39
GABRP O00591 4/20 0.37
GABRD O14764 4/20 0.37
GABRA1 P14867 4/20 0.37
GABRB1 P18505 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA4 P48169 4/20 0.37
GABRE P78334 4/20 0.37
GABRA6 Q16445 4/20 0.37
GABRG1 Q8N1C3 4/20 0.37
GABRG3 Q99928 4/20 0.37
GABRQ Q9UN88 4/20 0.37
MAPT P10636 2/20 0.37
F10 P00742 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL10679158 0.82 GABRA2 (0.38) GABRA2GABRB2ALDH1A1GABRPGABRD
SCHEMBL10800326 0.78 GABRA2 (0.35) GABRA2GABRB2ALDH1A1GABRPGABRD
SCHEMBL16014667 0.78 SMN1; SMN2 (0.41) ALDH1A1F10HTT
SCHEMBL17359686 0.78 F10 (0.38) ALDH1A1MAPTF10MEN1KMT2A
SCHEMBL9774785 0.76 ALDH1A1 (0.35) GABRA2GABRB2ALDH1A1GABRPGABRD
SCHEMBL9774947 0.76 MRGPRX4 (0.37) GABRA2GABRB2ALDH1A1GABRPGABRD
SCHEMBL9774867 0.75 GABRB3 (0.41) GABRA2GABRB2ALDH1A1GABRPGABRD
SCHEMBL16022856 0.74 POLB (0.35) F10
SCHEMBL17358325 0.74 F10 (0.36) F10
SCHEMBL9774928 0.74 GABRA2 (0.38) GABRA2GABRB2ALDH1A1GABRPGABRD

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-0259048-A2 Chemical compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-09 EP disclosed