SCHEMBL11319239

SCHEMBL11319239

O=C1C[N+]([O-])=C(c2ccccc2F)c2cc(Cl)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CHRM1 P11229 7/20 0.46
GABRA1 P14867 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
CNR1 P21554 1/20 0.43
NTSR1 P30989 1/20 0.43

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
SCHEMBL32681120 0.88 GABRA1 (0.55) LMNAGABRA1GABRA5GABRA3GABRA2
SCHEMBL6527541 0.88 GABRA1 (0.55) LMNAGABRA1GABRA5GABRA3GABRA2
SCHEMBL11399009 0.85 GABRA1 (0.57) LMNAGABRA1GABRA5GABRA3GABRA2
Demoxepam SCHEMBL29611580 0.84 CNR1 (0.54) LMNACHRM1GABRA1GABRA5GABRA3
Demoxepam SCHEMBL78342 0.84 CNR1 (0.54) LMNACHRM1GABRA1GABRA5GABRA3
SCHEMBL10675729 0.82 SMN1; SMN2 (0.39) LMNAGABRA1GABRA5GABRA3GABRA2
SCHEMBL7310022 0.81 LMNA (0.43) LMNACHRM1CCNE2CCNE1CDK2
SCHEMBL7310020 0.81 LMNA (0.43) LMNACHRM1CCNE2CCNE1CDK2
SCHEMBL7551382 0.78 NSD2 (0.40) LMNA
SCHEMBL11632406 0.77 CNR1 (0.41) LMNAGABRA1GABRA5GABRA3GABRA2

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
US-4261987-A ANTICONVULSANTS GEROT PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1981-04-14 US disclosed