SCHEMBL7845402

SCHEMBL7845402

CC(C)(C)N(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
KDM4E B2RXH2 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7843026 0.85 GABRA1 (0.45) CFTRGABRA1GABRB2
SCHEMBL7860741 0.83 GABRA1 (0.39) CFTRGABRA1GABRB2
SCHEMBL7845700 0.75 NHERF1 (0.61) GABRA1GABRB2TP53MAPT
SCHEMBL7834064 0.74 GAA (0.51) CFTRGABRA1GABRB2KDM4EALDH1A1
SCHEMBL7845846 0.74 GAA (0.51) CFTRGABRA1GABRB2KDM4EALDH1A1
SCHEMBL7834749 0.71 GAA (0.48) CFTRGABRA1GABRB2KDM4EALDH1A1
SCHEMBL7843626 0.71 GAA (0.47) CFTRGABRA1GABRB2KDM4EALDH1A1
SCHEMBL27795081 0.71 KDM4E (0.50) GABRA1GABRB2KDM4EF7F3
SCHEMBL12086528 0.70 KDM4E (0.44) GABRA1GABRB2KDM4EALDH1A1GLA
SCHEMBL7846837 0.69 GAA (0.43) CFTRKDM4EALDH1A1GLAGAA

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-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040563-A1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed