SCHEMBL30553370

SCHEMBL30553370

CS(=N)(=O)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
KIF11 P52732 3/20 0.37
CES2 O00748 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
GAA P10253 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 2/20 0.34

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
SCHEMBL30700705 0.89 ALOX5AP (0.43) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL15009785 0.89 ALOX5AP (0.43) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL30214832 0.80 KIF11 (0.47) EPHX2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2182720 0.80 KIF11 (0.47) EPHX2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL17927016 0.79 DDR1 (0.43) EPHX2
SCHEMBL310121 0.79 ALDH1A1 (0.43) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL27872324 0.79 EPHX2 (0.43) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL30214735 0.79 ALDH1A1 (0.43) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL23203438 0.78 KCNJ6 (0.49) EPHX2ERAP1KMT2AMEN1ALDH1A1
SCHEMBL30994933 0.78 ALOX5AP (0.46) EPHX2ERAP1ALDH1A1L3MBTL1KIF11

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
CN-119654326-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2025-03-18 CN disclosed