SCHEMBL27005481

SCHEMBL27005481

COc1ccc(-c2sc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
NOTUM Q6P988 3/20 0.47
KDM1A O60341 11/20 0.45
MAPK14 Q16539 1/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL27005480 0.87 PRKCZ (0.51) XDHKDM1AMAPK14OPRD1
SCHEMBL27005539 0.85 KDM1A (0.51) KDM1A
SCHEMBL27005514 0.84 KDM1A (0.50) KDM1A
SCHEMBL27005472 0.84 KDM1A (0.50) KDM1A
SCHEMBL27005051 0.83 KDM1A (0.49) KDM1A
SCHEMBL27005287 0.83 KDM1A (0.49) KDM1A
SCHEMBL27005607 0.83 KDM1A (0.47) XDHKDM1APGRAR
SCHEMBL27004945 0.83 KDM1A (0.56) KDM1AMAPK14
SCHEMBL27005639 0.81 KDM1A (0.46) XDHKDM1A
SCHEMBL27005505 0.81 KDM1A (0.44) XDHKDM1APGRAR

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-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed