SCHEMBL8097402

SCHEMBL8097402

CC(Br)C(=O)NC(C)(C#N)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ANO1 Q5XXA6 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
SCHEMBL8097337 0.82 SMN1; SMN2 (0.37) SMN1; SMN2DPP4CTSSCTSKKDM4E
SCHEMBL11256255 0.82 SMN1; SMN2 (0.39) SMN1; SMN2DPP4CTSSCTSKKDM4E
SCHEMBL7213661 0.78 SMN1; SMN2 (0.39) SMN1; SMN2DPP4CTSSCTSKKDM4E
SCHEMBL7220027 0.73 SMN1; SMN2 (0.45) SMN1; SMN2DPP4KDM4EALDH1A1LMNA
SCHEMBL8106282 0.73 CTSK (0.40) SMN1; SMN2CTSSCTSKLMNAKMT2A
SCHEMBL7946781 0.72 POLB (0.43) KDM4EALDH1A1LMNAKMT2A
SCHEMBL9487838 0.72 L3MBTL1 (0.31)
SCHEMBL7220925 0.70 POLB (0.36) SMN1; SMN2DPP4LMNAKMT2A
SCHEMBL7219260 0.70 ANO1 (0.42) ANO1
SCHEMBL8650991 0.70 CTSL (0.36) SMN1; SMN2CTSSCTSKKDM4EALDH1A1

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
US-6090815-A Pyrimidinyloxyalkanoic amide derivatives and fungicides for agricultural and horticultural use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-07-18 US disclosed
EP-0940392-A1 PYRIMIDINYLOXYALKANOIC AMIDE DERIVATIVES AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE KumaiI Chemical Industry Co., Ltd. (JP) 1999-09-08 EP disclosed
EP-0262393-B1 DERIVATIVES OF ARYLOXYCARBONIC ACIDS, THEIR PREPARATION AND THEIR USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-01-07 EP disclosed
EP-0262393-A1 Derivatives of aryloxycarbonic acids, their preparation and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-04-06 EP disclosed