SCHEMBL6815376

SCHEMBL6815376

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCSCC3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KCNH2 Q12809 4/20 0.59
MAPT P10636 2/20 0.59
POLA1 P09884 2/20 0.53
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL6693213 0.96 MEN1 (0.57) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL30372497 0.89 MEN1 (0.73) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6699690 0.89 MEN1 (0.73) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6697171 0.87 MEN1 (0.59) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL7859073 0.87 MEN1 (0.61) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6696197 0.86 MEN1 (0.70) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6693496 0.86 MAPT (0.60) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6697958 0.86 MAPT (0.60) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6698290 0.84 MAPT (0.58) MEN1KMT2AKCNH2MAPTPOLA1
SCHEMBL6710712 0.84 KCNH2 (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140851-B1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2004-09-01 EP disclosed
EP-1140851-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248736-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040563-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed