SCHEMBL7845818

SCHEMBL7845818

O=C(c1c[nH]c2ccc(C#CCO)cc2c1=O)N(CCCN1CCCCC1)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SIGMAR1 Q99720 5/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
CFTR P13569 1/20 0.38
MCHR1 Q99705 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TACR2 P21452 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
SCHEMBL7848149 0.95 POLB (0.42) POLBSIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL7833923 0.86 CFTR (0.45) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7846548 0.86 CFTR (0.42) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7847436 0.84 KDM4E (0.44) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7842246 0.83 KDM4E (0.44) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7845109 0.82 CFTR (0.42) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7841391 0.82 CFTR (0.41) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7846115 0.80 HSD17B10 (0.42) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL7843694 0.79 GAA (0.46) POLBALDH1A1KDM4EHPGDCFTR
SCHEMBL6670139 0.78 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 claimed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed