SCHEMBL6199775

SCHEMBL6199775

O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(OCCCCO)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLA1 P09884 2/20 0.41
NR3C1 P04150 1/20 0.41
PTGER4 P35408 1/20 0.41
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 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
SCHEMBL6195784 0.94 EGLN1 (0.43) EGLN1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6197287 0.86 SMN1; SMN2 (0.55) EGLN1SMN1; SMN2HPGDNR3C1MEN1
SCHEMBL6199600 0.86 EGLN1 (0.45) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6198849 0.84 EGLN1 (0.51) EGLN1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6200824 0.83 EGLN1 (0.48) EGLN1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6199040 0.83 EGLN1 (0.43) EGLN1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6194761 0.82 POLA1 (0.54) EGLN1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6225327 0.81 MMP13 (0.49) EGLN1POLA1NR3C1PTGER4POLB
SCHEMBL6195322 0.81 EGLN1 (0.44) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6200288 0.80 AKR1B1 (0.48) EGLN1CYP1A2CYP2C9HPGDCYP2C19

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