SCHEMBL9494540

SCHEMBL9494540

CSc1cc(NN2C=C(C(N)=O)C=CC2)cc(SC)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9499119 0.88 MAPT (0.32) MEN1KMT2A
SCHEMBL5253143 0.88 MEN1 (0.43) KDM4EMEN1KMT2A
SCHEMBL9494442 0.74 NPC1 (0.40) KDM4EMEN1KMT2A
SCHEMBL5257296 0.74 MEN1 (0.42) KDM4EMEN1KMT2A
SCHEMBL9496926 0.73 POLB (0.43) MEN1KMT2A
SCHEMBL9499235 0.73 MEN1 (0.39) MEN1KMT2A
SCHEMBL9494535 0.68 KDM4E (0.31) KDM4EMEN1KMT2A
SCHEMBL9495369 0.67
SCHEMBL9497049 0.66
SCHEMBL9497854 0.65

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
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed