SCHEMBL11019092

SCHEMBL11019092

CSc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PTGS2 P35354 3/20 0.53
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 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
GABRA4 P48169 3/20 0.44
GABRE P78334 3/20 0.44
GABRA6 Q16445 3/20 0.44
GABRG1 Q8N1C3 3/20 0.44
GABRG3 Q99928 3/20 0.44
GABRQ Q9UN88 3/20 0.44
MALT1 Q9UDY8 1/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL11017703 0.79 PTGS2 (0.76) LMNAPTGS2MALT1KDM4ESMN1; SMN2
SCHEMBL5205230 0.79 LMNA (0.46) LMNAPTGS2GABRPGABRDGABRA1
SCHEMBL11019585 0.76 PTGS2 (0.67) LMNAPTGS2MALT1KDM4ESMN1; SMN2
SCHEMBL11019135 0.76 PTGS2 (0.67) LMNAPTGS2MALT1KDM4ESMN1; SMN2
SCHEMBL5202264 0.73 PTGS2 (0.43) PTGS2GABRPGABRDGABRA1GABRB1
SCHEMBL11020712 0.71 SMN1; SMN2 (0.53) LMNAPTGS2KDM4ECYP1A2CYP2C9
SCHEMBL5273708 0.70 PTGS2 (0.67) PTGS2CYP2C9PTGS1
SCHEMBL5201440 0.69 PTGS2 (0.49) PTGS2GABRPGABRDGABRA1GABRB1
SCHEMBL3874666 0.69 LMNA (0.54) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL13239889 0.68 MALT1 (0.46) PTGS2MALT1CYP3A4KMT2ANR3C1

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-0155486-A1 1,3,5-Trisubstituted 1,2,4-triazole derivatives, process for their preparation and medicinal preparations containing them ALKALOIDA VEGYéSZETI GYáR (HU) 1985-09-25 EP disclosed