SCHEMBL6198112

SCHEMBL6198112

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(CCl)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
NR3C1 P04150 1/20 0.46
LMNA P02545 1/20 0.44
POLA1 P09884 2/20 0.43
PPARG P37231 1/20 0.43
GSK3B P49841 1/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NHERF1 O14745 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6198881 0.94 EGLN1 (0.47) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6197986 0.89 EGLN1 (0.49) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6668007 0.89 EGLN1 (0.45) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6220312 0.89 EGLN1 (0.45) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6197114 0.88 EGLN1 (0.44) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6669178 0.88 EGLN1 (0.44) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6200398 0.88 EGLN1 (0.44) EGLN1NR3C1LMNAPOLA1PPARG
SCHEMBL6196896 0.87 EGLN1 (0.47) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6198141 0.87 EGLN1 (0.47) EGLN1NR3C1LMNAPOLA1GSK3B
SCHEMBL6194768 0.87 EGLN1 (0.47) 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 2 patents. 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 disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed