SCHEMBL14313324

SCHEMBL14313324

Cc1csc(-c2ncc(OC(=O)Nn3cc(CC(F)(F)F)c4cccnc43)c(C)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CES2 O00748 1/20 0.30

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
SCHEMBL14313158 0.93 HPGDS (0.31) HPGDSCES2
SCHEMBL14312794 0.90 HPGDS (0.31) HPGDSCES2
SCHEMBL14313210 0.89 TGFBR1 (0.34) TGFBR1CES2
SCHEMBL14312910 0.89 HPGDS (0.40) HPGDSCES2
SCHEMBL14312830 0.88 HPGDS (0.37) TGFBR1MAPTNPSR1HPGDSPOLB
SCHEMBL14312982 0.87 TGFBR1 (0.37) TGFBR1HPGDSHPGDCES2
SCHEMBL14312866 0.87 MAPK8 (0.34) TGFBR1MAPTNPSR1
SCHEMBL14312735 0.85 TGFBR1 (0.35) TGFBR1HPGD
SCHEMBL14312986 0.84 TGFBR1 (0.35) TGFBR1HPGD
SCHEMBL14312554 0.82 CES2 (0.30) CES2

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-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
Send feedback