SCHEMBL3628074

SCHEMBL3628074

Cc1[nH]c2ccc(F)cc2c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
JAK2 O60674 3/20 0.45
KIF11 P52732 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FEN1 P39748 1/20 0.43
JAK3 P52333 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL21809222 0.85 KEAP1 (0.50) KEAP1NFE2L2KIF11GAAMAPT
SCHEMBL5857601 0.85 KEAP1 (0.50) MAP2KEAP1NFE2L2KIF11GAA
SCHEMBL6877031 0.81 KEAP1 (0.46) KEAP1NFE2L2KIF11GAAMAPT
SCHEMBL5236009 0.81 NR4A2 (0.63) KEAP1NFE2L2GAAMAPTLMNA
SCHEMBL9937467 0.79 GAA (0.72) GAAMAPTLMNASMN1; SMN2
SCHEMBL14555878 0.79 NR4A2 (0.46) KEAP1NFE2L2KIF11GAAMAPT
SCHEMBL30523119 0.78 ALDH1A1 (0.65) GAAMAPTSMN1; SMN2HTR7HTR6
SCHEMBL3262790 0.78 KDM4E (0.53) MAP2JAK2GAAMAPTLMNA
Hydrochloric Acid SCHEMBL14487428 0.78 NR4A2 (0.44) KEAP1NFE2L2KIF11GAAMAPT
SCHEMBL12968351 0.77 MAP2 (0.50) MAP2JAK2FEN1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed