SCHEMBL4669727

SCHEMBL4669727

CS(=O)(=O)c1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 5/20 0.48
HTT P42858 1/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
LDHA P00338 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
SCHEMBL27697937 0.86 MEN1 (0.55) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL403150 0.78 ALDH1A1 (0.63) MEN1KMT2AHPGDALDH1A1HTT
Hydrochloric Acid SCHEMBL3228101 0.76 ALDH1A1 (0.62) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL3788527 0.76 MEN1 (0.60) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL6016478 0.76 MEN1 (0.69) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL29774207 0.76 MEN1 (0.60) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL5264050 0.74 ALDH1A1 (0.65) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL4279782 0.74 MEN1 (0.59) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL8085536 0.74 MEN1 (0.63) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL8294634 0.74 ALDH1A1 (0.69) MEN1KMT2AHPGDALDH1A1HTT

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-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP claimed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO claimed