SCHEMBL30042574

SCHEMBL30042574

COc1cc(-c2cnc(C(F)(F)F)cn2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
DYRK1A Q13627 2/20 0.42
IDO1 P14902 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGDS O60760 1/20 0.41
CYP19A1 P11511 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
ATR Q13535 1/20 0.40
ACVR2A P27037 2/20 0.39
TGFBR2 P37173 2/20 0.39
KCNT1 Q5JUK3 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRM2 Q14416 1/20 0.38
LRRK2 Q5S007 2/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL134768 0.81 GABRA1 (0.53) GABRA1GABRG2GABRB3DYRK1AAAK1
SCHEMBL30042134 0.81 GABRA1 (0.53) GABRA1GABRG2GABRB3DYRK1AAAK1
SCHEMBL132252 0.79 GABRA1 (0.46) GABRA1GABRG2GABRB3DYRK1AIDO1
SCHEMBL154945 0.79 GABRA1 (0.49) GABRA1GABRG2GABRB3DYRK1AIDO1
SCHEMBL23674461 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3DYRK1AGAA
SCHEMBL30043057 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3DYRK1AIDO1
SCHEMBL30112252 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3DYRK1AGAA
SCHEMBL30112251 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3DYRK1AGAA
SCHEMBL23674502 0.75 GABRA1 (0.51) GABRA1GABRG2GABRB3DYRK1AIDO1
SCHEMBL155562 0.74 GABRA1 (0.49) GABRA1GABRG2GABRB3DYRK1AMAPT

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-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed