SCHEMBL6202174

SCHEMBL6202174

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C1 P04150 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
GSK3B P49841 1/20 0.40
POLA1 P09884 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
CNR2 P34972 2/20 0.39
STAMBP O95630 1/20 0.39
COPS5 Q92905 1/20 0.39
MAPT P10636 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
SCHEMBL6202002 0.87 LMNA (0.51) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6202939 0.86 LMNA (0.41) EGLN1LMNATP53NR3C1PTGER4
SCHEMBL6202167 0.85 EGLN1 (0.43) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6204261 0.85 TP53 (0.45) LMNAHPGDTP53POLA1MEN1
SCHEMBL6201600 0.84 EGLN1 (0.47) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6198169 0.84 EGLN1 (0.49) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6201102 0.82 EGLN1 (0.47) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6202614 0.82 EGLN1 (0.47) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6200734 0.82 EGLN1 (0.47) EGLN1LMNACYP1A2CYP2C19HPGD
SCHEMBL6201118 0.82 EGLN1 (0.44) EGLN1LMNACYP1A2CYP2C19HPGD

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