SCHEMBL30775656

SCHEMBL30775656

FC(F)(F)COc1cc(Br)cnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA1 P14867 1/20 0.38
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL30931623 0.76 LOXL2 (0.40) CYP11B1CYP11B2L3MBTL1MAPTALDH1A1
SCHEMBL3359088 0.73 HRH4 (0.40) L3MBTL1MAPTALDH1A1THRBKDM4E
SCHEMBL29560184 0.73 HRH4 (0.40) L3MBTL1MAPTALDH1A1THRBKDM4E
SCHEMBL30896160 0.71 ALDH1A1 (0.43) CYP11B1CYP11B2L3MBTL1MAPTALDH1A1
SCHEMBL2461154 0.70 L3MBTL1 (0.56) L3MBTL1GABRA5MAPTALDH1A1THRB
SCHEMBL24517539 0.70
SCHEMBL651977 0.69 ALDH1A1 (0.44) CYP11B1CYP11B2L3MBTL1MAPTALDH1A1
SCHEMBL13259534 0.69 NT5E (0.34) CYP11B1CYP11B2KDM4E
SCHEMBL22518704 0.68 L3MBTL1 (0.45) L3MBTL1MAPTALDH1A1THRBKDM4E
SCHEMBL15709845 0.68 AMD1 (0.37) L3MBTL1MAPTALDH1A1THRBKDM4E

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-4568746-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed