SCHEMBL7842249

SCHEMBL7842249

CCN(CC)C(CNC(=O)c1c[nH]c2ccc(C#CCO)cc2c1=O)Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.40
POLB P06746 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL7841936 0.87 NHERF1 (0.43) NHERF1POLBADORA2AADORA1
SCHEMBL7846556 0.85 LMNA (0.41) NHERF1POLBHSD17B10GAALMNA
SCHEMBL7841393 0.82 NHERF1 (0.42) NHERF1POLBHSD17B10LMNAMAPT
SCHEMBL7843694 0.76 GAA (0.46) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL7843172 0.75 GABRA1 (0.40) GAAKDM4EALDH1A1HPGD
SCHEMBL7835904 0.75 GABRA1 (0.40)
SCHEMBL7842246 0.75 KDM4E (0.44) POLBHSD17B10LMNAMAPTKDM4E
SCHEMBL7860741 0.74 GABRA1 (0.39) POLB
SCHEMBL7834375 0.73 GABRA1 (0.39) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL6670139 0.73 CFTR (0.39) NHERF1POLB

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