SCHEMBL9623758

SCHEMBL9623758

Cc1ccc2c(c1C)C(=O)N(C(C)C=O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL24303347 0.83 TDP2 (0.48) TDP2NSD2HSP90AA1PAX8KDM4E
SCHEMBL31688086 0.73 TDP1 (0.50)
SCHEMBL4715603 0.73 TDP1 (0.50)
SCHEMBL9624832 0.73 KDM4E (0.65) KDM4EHSD17B10
SCHEMBL14490216 0.70 TDP2 (0.54) TDP2NSD2HSP90AA1PAX8KDM4E
SCHEMBL3280286 0.68 TDP2 (0.52) TDP2NSD2HSP90AA1PAX8KDM4E
SCHEMBL17300613 0.67 ELANE (0.49) TDP2NSD2HSP90AA1PAX8KDM4E
SCHEMBL12948364 0.67 POLB (0.56)
SCHEMBL12948439 0.67 S100A4 (0.49)
SCHEMBL12235606 0.66 TDP2 (0.48) TDP2NSD2HSP90AA1PAX8KDM4E

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
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed