SCHEMBL6199044

SCHEMBL6199044

O=C(NCc1ccc(Cl)cc1)c1cnc2c(COCCO)cccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
POLA1 P09884 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR3C1 P04150 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 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
SCHEMBL6202284 0.88 EGLN1 (0.54) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6201069 0.85 EGLN1 (0.46) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6199468 0.85 EGLN1 (0.49) EGLN1POLA1ALDH1A1HPGDCYP1A2
SCHEMBL6203808 0.85 EGLN1 (0.49) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6201286 0.82 EGLN1 (0.50) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6199040 0.81 EGLN1 (0.43) EGLN1POLA1LMNAHPGDCYP1A2
SCHEMBL6199785 0.81 EGLN1 (0.47) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6219084 0.81 EGLN1 (0.54) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6198610 0.81 EGLN1 (0.56) EGLN1POLA1ALDH1A1LMNAHPGD
SCHEMBL6198755 0.81 POLA1 (0.57) EGLN1POLA1ALDH1A1LMNAHPGD

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