SCHEMBL7841393

SCHEMBL7841393

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 3/20 0.42
PYGL P06737 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7841936 0.87 NHERF1 (0.43) NHERF1POLB
SCHEMBL7842249 0.82 NHERF1 (0.40) NHERF1KDM4ELMNAHSD17B10POLB
SCHEMBL7848232 0.81 KCNH2 (0.46) KDM4EHSD17B10POLBMAPT
SCHEMBL7846556 0.81 LMNA (0.41) NHERF1PYGLKDM4ELMNAHSD17B10
SCHEMBL7845733 0.79 PYGL (0.48) NHERF1PYGLKDM4ELMNAHSD17B10
SCHEMBL6670167 0.75 ALDH1A1 (0.49) KDM4ELMNAHSD17B10POLBMAPT
SCHEMBL7848276 0.74 KDM4E (0.46) PYGLKDM4EHSD17B10POLBMAPT
SCHEMBL7858074 0.74 NHERF1 (0.54) NHERF1PYGLKDM4ELMNAHSD17B10
SCHEMBL7841391 0.74 CFTR (0.41) KDM4ELMNAHSD17B10POLBMAPT
SCHEMBL7834741 0.73 KDM4E (0.45) PYGLKDM4EHSD17B10POLBMAPT

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