SCHEMBL7841391

SCHEMBL7841391

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MC4R P32245 2/20 0.36
MC5R P33032 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
MC3R P41968 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7846115 0.93 HSD17B10 (0.42) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7833923 0.91 CFTR (0.45) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7847436 0.87 KDM4E (0.44) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7842246 0.86 KDM4E (0.44) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7846548 0.86 CFTR (0.42) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7845109 0.86 CFTR (0.42) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7848149 0.83 POLB (0.42) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7843694 0.82 GAA (0.46) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL7845818 0.82 POLB (0.41) CFTRKDM4EALDH1A1GLAHPGD
SCHEMBL6670139 0.82 CFTR (0.39) CFTRGABRA1GABRB2POLB

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