SCHEMBL6669314

SCHEMBL6669314

O=C(NCc1ccc(Cl)cc1)c1nnc2c(CC#CCO)cc(CN3CCOCC3)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
POLA1 P09884 2/20 0.46
MLLT1 Q03111 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.40
MAPT P10636 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL6668136 0.88 KCNH2 (0.50) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6667336 0.88 KCNH2 (0.48) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6667277 0.87 KCNH2 (0.49) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6667809 0.86 KCNH2 (0.45) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6668123 0.86 KCNH2 (0.49) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6669978 0.85 MAPK1 (0.38) KCNH2ALDH1A1MAPT
SCHEMBL6669311 0.84 KCNH2 (0.48) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6668378 0.84 POLA1 (0.47) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6669343 0.84 POLA1 (0.47) KCNH2POLA1MLLT1ALDH1A1NPC1
SCHEMBL6667914 0.84 POLA1 (0.47) KCNH2POLA1MLLT1ALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO disclosed