SCHEMBL6950306

SCHEMBL6950306

O=C(c1c[nH]c2ccc(CN3CCOCC3)cc2c1=O)N(Cc1ccc(Cl)cc1)c1cccc(CCCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KCNH2 Q12809 2/20 0.39
JAK2 O60674 1/20 0.38
POLA1 P09884 1/20 0.38
HSD17B10 Q99714 3/20 0.37
BACE1 P56817 1/20 0.37
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PDK1 Q15118 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL6958611 0.99 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6961431 0.97 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6959857 0.94 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6958785 0.91 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6957798 0.87 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6667428 0.87 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6963000 0.87 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6958938 0.87 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6959107 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6956349 0.85 ALDH1A1 (0.42) 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