SCHEMBL6204166

SCHEMBL6204166

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.40
NR3C1 P04150 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
POLA1 P09884 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6201589 0.99 EGLN1 (0.42) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6201118 0.97 EGLN1 (0.44) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6201600 0.90 EGLN1 (0.47) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6202644 0.89 EGLN1 (0.42) EGLN1LMNANR3C1PTGER4PTGER2
SCHEMBL6197014 0.88 EGLN1 (0.40) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6202874 0.88 LMNA (0.44) EGLN1CYP1A2HPGDCYP2C19TP53
SCHEMBL6201787 0.87 EGLN1 (0.43) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6199811 0.87 EGLN1 (0.43) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6202257 0.86 EGLN1 (0.42) EGLN1CYP1A2HPGDCYP2C19CYP2C9
SCHEMBL6201231 0.86 EGLN1 (0.44) EGLN1CYP1A2HPGDCYP2C19CYP2C9

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