SCHEMBL4761377

SCHEMBL4761377

COc1c(N2CC(C)C(C(N)COc3ccccc3)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
TNF P01375 6/20 0.34
LITAF Q99732 6/20 0.34
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4516230 1.00 KCNH2 (0.35) KCNH2TNFLITAFGLAMAPT
SCHEMBL4525255 1.00 KCNH2 (0.35) KCNH2TNFLITAFGLAMAPT
SCHEMBL4506136 0.91 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4516892 0.91 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4525161 0.90 TNF (0.32) TNFLITAF
SCHEMBL1383290 0.90 TNF (0.32) TNFLITAF
SCHEMBL4761399 0.90 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4511256 0.90 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4501334 0.90 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL4514749 0.88 KCNH2 (0.36) KCNH2TNFLITAF

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-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP claimed