SCHEMBL7848149

SCHEMBL7848149

O=C(c1c[nH]c2ccc(C#CCO)cc2c1=O)N(CCN1CCCCC1)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CFTR P13569 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 2/20 0.37
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7845818 0.95 POLB (0.41) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7833923 0.87 CFTR (0.45) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7847436 0.85 KDM4E (0.44) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7842246 0.84 KDM4E (0.44) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7845109 0.84 CFTR (0.42) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7846548 0.84 CFTR (0.42) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7841391 0.83 CFTR (0.41) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7846115 0.81 HSD17B10 (0.42) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL7843694 0.80 GAA (0.46) POLBCFTRALDH1A1HPGDKDM4E
SCHEMBL6670139 0.80 CFTR (0.39) POLBCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed