SCHEMBL25880830

SCHEMBL25880830

NC(=O)NCc1ccnc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 17/20 0.61
LOX P28300 14/20 0.60
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL9707275 0.82 LOXL2 (0.52) LOXL2LOXMAPK8FFAR1
SCHEMBL25880602 0.80 LOX (0.57) LOXL2LOXMMP13
Hydrochloric Acid SCHEMBL5709327 0.77 FFAR1 (0.61) HTTMAPK14SMN1; SMN2FFAR1
SCHEMBL18049121 0.77 LOXL2 (0.80) LOXL2LOXLMNACYP3A4HTT
SCHEMBL25880968 0.77 RECQL (0.42) LOXL2LOX
SCHEMBL25880555 0.77 KLKB1 (0.46) LOXL2LOX
SCHEMBL25880800 0.77 RECQL (0.42) LOXL2LOXMAPK14
SCHEMBL27593863 0.76 HPGD (0.61) LMNACYP3A4HTTMMP13MAPK14
SCHEMBL2894154 0.76 LOXL2 (0.71) LOXL2LOXMAPK8MAPK10SMN1; SMN2
SCHEMBL18049194 0.76 LOXL2 (1.00) LOXL2LOX

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
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO disclosed