SCHEMBL6200682

SCHEMBL6200682

O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(Cc3ccccc3)cc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
NSD2 O96028 1/20 0.46
CNR2 P34972 1/20 0.46
MCL1 Q07820 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
POLA1 P09884 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR3C1 P04150 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL6198849 0.88 EGLN1 (0.51) ALDH1A1LMNAEGLN1CNR2POLA1
SCHEMBL6198909 0.87 SCN2A (0.51) ALDH1A1LMNAEGLN1MCL1SCN2A
SCHEMBL6200824 0.87 EGLN1 (0.48) ALDH1A1LMNAEGLN1POLA1MEN1
SCHEMBL6198157 0.86 EGLN1 (0.55) ALDH1A1LMNAEGLN1NSD2CNR2
SCHEMBL6194761 0.85 POLA1 (0.54) ALDH1A1LMNAEGLN1CNR2POLA1
SCHEMBL6202819 0.85 L3MBTL1 (0.46) ALDH1A1LMNAEGLN1MCL1SCN2A
SCHEMBL6225327 0.85 MMP13 (0.49) ALDH1A1EGLN1MCL1POLA1NR3C1
SCHEMBL6200817 0.84 NR3C1 (0.49) LMNAEGLN1POLA1MEN1KMT2A
SCHEMBL6198072 0.84 EGLN1 (0.47) ALDH1A1LMNAEGLN1CNR2POLA1
SCHEMBL6200449 0.84 PTGER4 (0.48) ALDH1A1LMNAEGLN1CNR2POLA1

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 disclosed