SCHEMBL6955928

SCHEMBL6955928

O=C(c1c[nH]c2ccc(CN3CCOCC3)cc2c1=O)N(Cc1ccc(Cl)cc1)c1ccccc1CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
RGS12 O14924 1/20 0.41
KCNH2 Q12809 2/20 0.40
JAK2 O60674 1/20 0.39
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.39
CFTR P13569 1/20 0.39
POLA1 P09884 2/20 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
SCHEMBL6667428 0.88 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6959107 0.87 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6958785 0.86 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6957798 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6964935 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6959053 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6959857 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6958938 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6673044 0.83 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL7199782 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA

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-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP claimed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO claimed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO disclosed