SCHEMBL6201955

SCHEMBL6201955

O=C(NCc1ccc(Cl)cc1)c1cnc2c(CCCO)cc(OCCO)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR3C1 P04150 1/20 0.39
POLA1 P09884 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6201571 0.91 SMN1; SMN2 (0.45) EGLN1CYP1A2CYP2C9CYP2C19NR3C1
SCHEMBL6201118 0.86 EGLN1 (0.44) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6201949 0.84 EGLN1 (0.42) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6203808 0.84 EGLN1 (0.49) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6199814 0.84 P2RX1 (0.45) EGLN1HPGD
SCHEMBL6204166 0.83 EGLN1 (0.43) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6201589 0.83 EGLN1 (0.42) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6195784 0.81 EGLN1 (0.43) EGLN1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6202644 0.80 EGLN1 (0.42) EGLN1NR3C1POLA1MEN1KMT2A
SCHEMBL6199775 0.79 EGLN1 (0.42) 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