SCHEMBL27005172

SCHEMBL27005172

CC(C)(CO)n1cc2cc(-c3sc(C(=O)N4CCCNCC4)cc3-c3ccc(C#N)c(F)c3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.50
MAPK14 Q16539 1/20 0.44
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL27005812 0.88 KDM1A (0.63) KDM1AMAPK14CYP11B1CYP11B2
SCHEMBL27005360 0.87 KDM1A (0.55) KDM1A
SCHEMBL27005137 0.87 KDM1A (0.55) KDM1A
SCHEMBL27005171 0.86 KDM1A (0.47) KDM1A
SCHEMBL27005418 0.86 KDM1A (0.47) KDM1A
SCHEMBL27005165 0.85 KDM1A (0.47) KDM1A
SCHEMBL27005417 0.85 KDM1A (0.47) KDM1A
SCHEMBL27009362 0.85 KDM1A (0.45) KDM1AMAPK14
SCHEMBL27009363 0.82 KDM1A (0.44) KDM1A
SCHEMBL27004944 0.80 KDM1A (0.61) KDM1AMAPK14CYP11B1CYP11B2

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