SCHEMBL8069040

SCHEMBL8069040

O=Cc1ccnc2cc(Cl)cc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ERN1 O75460 3/20 0.42
ORAI1 Q96D31 1/20 0.41
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
NR4A2 P43354 4/20 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
SCHEMBL30800065 0.77 NR4A2 (0.44) TDP1CCR1CCR5CCR8MEN1
SCHEMBL1556897 0.77 NR4A2 (0.44) TDP1CCR1CCR5CCR8MEN1
SCHEMBL3709985 0.74 NR4A2 (0.56) TDP1CCR1CCR5CCR8MEN1
SCHEMBL8057377 0.73 NR4A2 (0.41) TDP1CCR1MEN1MAPTKMT2A
SCHEMBL7048479 0.73 NR4A2 (0.41) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL29872784 0.73 NR4A2 (0.41) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL11893004 0.72 NR4A2 (0.38) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL3252945 0.71 NR4A2 (0.58) TDP1ERN1CCR1CCR5CCR8
SCHEMBL7532122 0.71 NR4A2 (0.40) TDP1MEN1MAPTKMT2AL3MBTL1
SCHEMBL1496336 0.71 CCR1 (0.50) TDP1ERN1CCR1CCR5CCR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117884-A 4-substituted quinoline derivatives having fungicidal activity DAEUBLE JOHN (US) 2000-09-12 US disclosed
EP-0925282-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOWELANCO (US) 1999-06-30 EP disclosed
WO-1998005645-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 1998-02-12 WO disclosed