SCHEMBL3632702

SCHEMBL3632702

CS(=O)(=O)c1ccc2c(C(N)=O)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PTGS2 P35354 4/20 0.48
▸ TDO2 P48775 1/20 0.45
▸ NR4A2 P43354 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SPR P35270 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ PBRM1 Q86U86 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
SCHEMBL3630740 0.88 ALDH1A1 (0.53) ALDH1A1ATMPTGS2NR4A2MAPT
SCHEMBL2920694 0.88 LMNA (0.53) ALDH1A1PTGS2TDO2NR4A2PTGS1
SCHEMBL1558375 0.84 TDO2 (0.44) PTGS2TDO2NR4A2PTGS1MAPT
SCHEMBL2079006 0.80 CNR1 (0.47) PTGS2TDO2NR4A2PTGS1F2
SCHEMBL6598809 0.78 TDO2 (0.49) PTGS2TDO2PTGS1SPR
SCHEMBL16205922 0.78 NR4A2 (0.67) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL15652258 0.76 ALDH1A1 (0.61) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL214780 0.76 ALDH1A1 (0.61) ALDH1A1ATMNR4A2PIM1PIM3
SCHEMBL23612225 0.75 GAA (0.58) NR4A2MAPTLMNASPR
SCHEMBL26204498 0.74 NR4A2 (0.65) ALDH1A1ATMNR4A2PIM1PIM3

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
Send feedback