SCHEMBL6973186

SCHEMBL6973186

[CH2]NC(=O)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.61
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CA12 O43570 1/20 0.52
MMP2 P08253 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
UBE2N P61088 1/20 0.50
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48

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
SCHEMBL11068295 0.80 OGG1 (0.67) OGG1CES2CES1CA12MMP2
SCHEMBL1982518 0.80 POLB (0.68) OGG1CES2CES1SMN1; SMN2ALDH1A1
SCHEMBL13481186 0.80 POLB (0.68) OGG1CES2CES1SMN1; SMN2ALDH1A1
SCHEMBL8575405 0.80 OGG1 (0.67) OGG1CES2CES1CA12MMP2
SCHEMBL2176500 0.78 TSHR (0.60) CES2CES1CA12CA14SMN1; SMN2
Hydrochloric Acid SCHEMBL27743016 0.78 OGG1 (0.64) OGG1CES2CES1CA12MMP2
SCHEMBL8575647 0.76 OGG1 (0.61) OGG1CES2CES1CA12MMP2
SCHEMBL38806 0.76 OGG1 (1.00) OGG1CES2CES1CA12MMP2
SCHEMBL1987275 0.76 ALDH1A1 (0.61) CES2CES1SMN1; SMN2ALDH1A1CA1
SCHEMBL6957448 0.76 TPMT (0.52) ALDH1A1GAACA1CA2HDAC1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed