SCHEMBL29995228

SCHEMBL29995228

CS(=O)(=O)OCc1ccnc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.53
LOX P28300 1/20 0.51
KCNQ2 O43526 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
KMT2A Q03164 1/20 0.36
PTGS2 P35354 3/20 0.36
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
AR P10275 1/20 0.36
TYMS P04818 1/20 0.35
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.34
DDR1 Q08345 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
MRGPRX4 Q96LA9 1/20 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
SCHEMBL22264304 1.00 LOXL2 (0.53) LOXL2LOXKCNQ2ADAMTS4MMP13
SCHEMBL13363420 0.84 HCRTR1 (0.37) LOXL2LOXKCNQ2ADAMTS4MMP13
SCHEMBL501336 0.80 LOXL2 (0.49) LOXL2KCNQ2CA2CDK2
SCHEMBL29962624 0.80 LOXL2 (0.49) LOXL2KCNQ2CA2CDK2
SCHEMBL22277951 0.79 LOXL2 (0.61) LOXL2LOXKCNQ2ADAMTS4MMP13
SCHEMBL615622 0.78 KCNQ2 (0.43) LOXL2LOXKCNQ2ADAMTS4MMP13
SCHEMBL22775173 0.77 CA2 (0.42) KMT2APTGS2CA2MRGPRX4
SCHEMBL3116042 0.76 CYP1A2 (0.39) LOXL2LOXTYMSCA2
SCHEMBL1670067 0.76 PARP1 (0.35) LOXL2LOXRXRAGRIN1GRIN2B
SCHEMBL5793683 0.76 RECQL (0.49) LOXL2LOXPTGS2CA2CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed