SCHEMBL7057291

SCHEMBL7057291

Cc1c(CN2CCOCC2C(O)c2ccccc2)sc2c1c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6685956 1.00 KCNH2 (0.52) KCNH2MEN1KMT2A
SCHEMBL6685960 1.00 KCNH2 (0.52) KCNH2MEN1KMT2A
SCHEMBL6747900 0.90 KCNH2 (0.45) KCNH2
SCHEMBL6747901 0.90 KCNH2 (0.45) KCNH2
SCHEMBL6749818 0.86 KCNH2 (0.69) KCNH2
SCHEMBL6746027 0.86 KCNH2 (0.69) KCNH2
SCHEMBL6746031 0.86 KCNH2 (0.69) KCNH2
SCHEMBL6490855 0.81 KCNH2 (0.70) KCNH2MEN1KMT2A
SCHEMBL6749882 0.80 KCNH2 (0.58) KCNH2
SCHEMBL6749887 0.80 KCNH2 (0.58) KCNH2

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-6831081-B2 Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 PHARMACIA & UPJOHN 2004-12-14 US disclosed