SCHEMBL9436258

SCHEMBL9436258

Fc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.69
TGFBR2 P37173 2/20 0.60
PDE10A Q9Y233 1/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
CSNK1D P48730 6/20 0.47
CSNK1E P49674 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL7378515 0.93 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AMAPK13MAPK12
SCHEMBL7343693 0.93 TGFBR1 (0.65) TGFBR1TGFBR2PDE10AMAPK13MAPK12
SCHEMBL9700043 0.89 TGFBR1 (0.60) TGFBR1TGFBR2PDE10AMAPK13MAPK12
SCHEMBL17767553 0.84 TGFBR1 (0.59) TGFBR1TGFBR2PDE10AMAPK13MAPK12
SCHEMBL11474337 0.84 TGFBR1 (0.51) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL11474839 0.84 RAB9A (0.53) TGFBR1TGFBR2PDE10ASMN1; SMN2KDM4E
SCHEMBL11485609 0.83 TGFBR1 (0.57) TGFBR1TGFBR2PDE10ASMN1; SMN2KDM4E
SCHEMBL13430532 0.83 TGFBR1 (0.58) TGFBR1TGFBR2PDE10AMAPK13MAPK12
Bromide SCHEMBL11473432 0.83 TGFBR1 (0.50) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL990288 0.83 SMN1; SMN2 (0.66) TGFBR1TGFBR2CSNK1DCSNK1ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed