SCHEMBL29995296

SCHEMBL29995296

COc1cc(COS(C)(=O)=O)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.56
LOXL2 Q9Y4K0 2/20 0.56
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
FFAR1 O14842 1/20 0.37
RORC P51449 1/20 0.37
IL17A Q16552 1/20 0.37
ENPP2 Q13822 1/20 0.36
MMP12 P39900 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G7 Q13093 1/20 0.35
S1PR1 P21453 1/20 0.35
CCR9 P51686 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL16346768 1.00 LOX (0.56) LOXLOXL2CDK4CCND1CDK2
SCHEMBL14279344 0.84 LOX (0.53) LOXLOXL2CDK4CCND1CDK2
SCHEMBL1670067 0.82 PARP1 (0.35) LOXLOXL2CDK4CCND1CDK2
SCHEMBL30329118 0.82 HCRTR1 (0.40) LOXLOXL2GRM2
SCHEMBL26921239 0.81 LOX (0.49) LOXLOXL2LMNASMN1; SMN2S1PR1
SCHEMBL615622 0.80 KCNQ2 (0.43) LOXLOXL2FFAR1MMP12CA1
SCHEMBL2092744 0.79 LOXL2 (0.67) LOXLOXL2FFAR1ENPP2MMP12
SCHEMBL5793683 0.79 RECQL (0.49) LOXLOXL2CDK2FFAR1LMNA
SCHEMBL29962624 0.79 LOXL2 (0.49) LOXL2CDK2FFAR1CA2CA9
SCHEMBL3116042 0.79 CYP1A2 (0.39) LOXLOXL2CA1CA2CA9

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