SCHEMBL6202349

SCHEMBL6202349

CCOC(=O)/C=C/c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NR3C1 P04150 1/20 0.41
P2RX3 P56373 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C2 P52895 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
CYP1A1 P04798 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 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
SCHEMBL6201171 0.89 EGLN1 (0.42) CYP3A4LMNAMAPTNR3C1AKR1C3
SCHEMBL6201179 0.89 EGLN1 (0.42) CYP3A4LMNAMAPTNR3C1AKR1C3
SCHEMBL6199204 0.88 AKR1C3 (0.47) CYP3A4LMNANR3C1AKR1C3AKR1C4
SCHEMBL6199212 0.88 AKR1C3 (0.47) CYP3A4LMNANR3C1AKR1C3AKR1C4
SCHEMBL6196787 0.84 EGLN1 (0.42) CYP3A4LMNAKDM4EALDH1A1NR3C1
SCHEMBL6196782 0.84 EGLN1 (0.42) CYP3A4LMNAKDM4EALDH1A1NR3C1
SCHEMBL6197496 0.84 EGLN1 (0.43) CYP3A4LMNAKDM4EALDH1A1NR3C1
SCHEMBL6197485 0.84 EGLN1 (0.43) CYP3A4LMNAKDM4EALDH1A1NR3C1
SCHEMBL6786960 0.84 EGLN1 (0.46) CYP3A4LMNAKDM4EALDH1A1NR3C1
SCHEMBL6202824 0.83 LMNA (0.41) CYP3A4LMNATHRBNR3C1EGLN1

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