SCHEMBL6199872

SCHEMBL6199872

NNC(=S)c1cc(F)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
NR3C1 P04150 1/20 0.41
LMNA P02545 1/20 0.41
PTGER4 P35408 3/20 0.40
PTGER2 P43116 1/20 0.40
POLA1 P09884 2/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 0.40
CNR2 P34972 3/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL6200361 0.90 EGLN1 (0.47) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6199866 0.86 EGLN1 (0.43) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6201102 0.85 EGLN1 (0.47) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6198169 0.85 EGLN1 (0.49) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6202614 0.83 EGLN1 (0.47) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6200734 0.83 EGLN1 (0.47) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6201600 0.83 EGLN1 (0.47) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6200355 0.80 EGLN1 (0.45) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6198781 0.80 EGLN1 (0.45) EGLN1NR3C1LMNAPTGER4PTGER2
SCHEMBL6202002 0.80 LMNA (0.51) EGLN1NR3C1LMNAPTGER4PTGER2

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