SCHEMBL7806544

SCHEMBL7806544

O=Cc1ccc2cc(F)c(Cl)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
ALDH1A1 P00352 2/20 0.39
S1PR4 O95977 2/20 0.37
MAPT P10636 2/20 0.36
TERT O14746 6/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC2A1 P11166 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL6819092 0.87 CCR1 (0.48) CCR1ALDH1A1S1PR4MAPTTERT
SCHEMBL4049786 0.84 S1PR4 (0.36) ALDH1A1S1PR4MAPTTDP1SLC2A1
SCHEMBL13739830 0.77 CCR1 (0.39) CCR1ALDH1A1RAB9AL3MBTL1LMNA
SCHEMBL7245334 0.76 KDM4E (0.55) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL7245330 0.76 KDM4E (0.55) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL3748357 0.76 CCR1 (0.48) CCR1ALDH1A1S1PR4MAPTTERT
SCHEMBL2169969 0.76 CCR1 (0.48) CCR1ALDH1A1MAPTTERTTDP1
SCHEMBL1914989 0.74 BACE1 (0.53) CCR1ALDH1A1TERTNPC1RAB9A
SCHEMBL4052149 0.74 CYP1A2 (0.48) MAPTKDM4ELMNA
SCHEMBL3597858 0.74 TDP1 (0.48) CCR1ALDH1A1S1PR4MAPTTERT

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
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed