SCHEMBL7066696

SCHEMBL7066696

O=C(NCC=CO)C1=Nc2ccccc2C(=O)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5486400 0.76 POLB (0.40) HPGDL3MBTL1
SCHEMBL29191703 0.71 NOTUM (0.41) HPGDRAB9AL3MBTL1
SCHEMBL9060888 0.71 ALDH1A1 (0.40) HPGDL3MBTL1
SCHEMBL9178589 0.68 MAPT (0.51) RAB9AL3MBTL1
SCHEMBL27567042 0.66 GAA (0.59) HPGDRAB9A
SCHEMBL6667756 0.64 ALDH1A1 (0.46) HPGDRAB9AL3MBTL1
SCHEMBL3014252 0.64 ALDH1A1 (0.36) HPGDRAB9AL3MBTL1
SCHEMBL7256137 0.62 ALDH1A1 (0.38) HPGDRAB9AL3MBTL1
SCHEMBL1394908 0.61 KMT2A (0.39) HPGDRAB9AL3MBTL1
SCHEMBL7938811 0.61 ALDH1A1 (0.37) HPGDRAB9AL3MBTL1

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