SCHEMBL3718956

SCHEMBL3718956

Fc1cc(-c2ccc(Cl)cc2)cc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CCR1 P32246 2/20 0.44
▸ CCR8 P51685 2/20 0.44
▸ SLC40A1 Q9NP59 3/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 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
SCHEMBL28275870 0.83 L3MBTL1 (0.66) KDM4EL3MBTL1RAB9ANPC1CCR1
SCHEMBL1148265 0.81 CCR1 (0.50) KDM4EL3MBTL1CCR1CCR8SLC40A1
SCHEMBL24619598 0.76 CCR1 (0.43) KDM4EL3MBTL1RAB9ANPC1CCR1
SCHEMBL24619115 0.76 ADORA2A (0.41) KDM4EL3MBTL1RAB9ANPC1CCR1
SCHEMBL9275208 0.75 SLC40A1 (0.50) KDM4EL3MBTL1RAB9ANPC1CCR1
SCHEMBL24619738 0.75 RPS6KA5 (0.42) KDM4EL3MBTL1RAB9ANPC1CCR1
SCHEMBL10784946 0.73 NPC1 (0.78) KDM4ERAB9ANPC1ALDH1A1NR4A2
SCHEMBL25523414 0.72 KDM4E (0.51) KDM4EL3MBTL1RAB9ANPC1ADORA3
SCHEMBL29720513 0.71 ALDH1A1 (0.63) KDM4EL3MBTL1CCR1CCR8TOP1
SCHEMBL8117455 0.71 TOP1 (0.47) KDM4EL3MBTL1RAB9ANPC1CCR1

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
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 — — WO disclosed
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