SCHEMBL6219409

SCHEMBL6219409

O=C(O)CC#Cc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.42
NR3C1 P04150 2/20 0.41
AKR1B1 P15121 2/20 0.39
LMNA P02545 1/20 0.39
POLA1 P09884 2/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CNR2 P34972 2/20 0.38
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6201235 0.91 EGLN1 (0.41) EGLN1NR3C1AKR1B1LMNAPOLA1
SCHEMBL6197241 0.91 EGLN1 (0.43) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6199909 0.91 EGLN1 (0.43) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6198205 0.89 EGLN1 (0.42) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6218719 0.88 EGLN1 (0.44) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6201372 0.88 EGLN1 (0.41) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6197493 0.88 LMNA (0.44) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6196660 0.88 NR3C1 (0.42) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6199593 0.86 EGLN1 (0.39) EGLN1NR3C1AKR1B1LMNAPOLA1
SCHEMBL6201822 0.86 NR3C1 (0.42) EGLN1NR3C1LMNAPOLA1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed