SCHEMBL4685570

SCHEMBL4685570

Cc1ccc(C(=O)NC(C(N)=O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 3/20 0.53
CA2 P00918 1/20 0.52
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TRPA1 O75762 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL4678368 0.85 HTT (0.53) SMN1; SMN2MEN1KMT2ACA2ALDH1A1
SCHEMBL4681864 0.85 CA2 (0.54) SMN1; SMN2HPGDCA2ALDH1A1RAB9A
SCHEMBL15260867 0.85 CA2 (0.66) SMN1; SMN2MEN1KMT2AHPGDCA2
SCHEMBL76893 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHPGDCA2
SCHEMBL76588 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHPGDCA2
SCHEMBL4679702 0.78 HPGDS (0.59) SMN1; SMN2MEN1KMT2AHPGDCA2
Hydrochloric Acid SCHEMBL4685394 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHPGDCA2
SCHEMBL10761872 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL4682300 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL4682849 0.74 CNR2 (0.50) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed