SCHEMBL9921622

SCHEMBL9921622

C=C(NC)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
APP P05067 1/20 0.48
GAA P10253 1/20 0.48
HCAR3 P49019 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
POLB P06746 1/20 0.46
PLOD2 O00469 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL8388574 0.79 GAA (0.54) ALDH1A1HDAC1HDAC6APPGAA
SCHEMBL7943755 0.79 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC6APPGAA
SCHEMBL17108545 0.79 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC6APPGAA
SCHEMBL28708212 0.78 ALDH1A1 (0.54) ALDH1A1HDAC1HDAC6APPGAA
SCHEMBL609057 0.77
SCHEMBL25804515 0.77 LMNA (0.43) ALDH1A1HDAC1HDAC6PLOD2LMNA
SCHEMBL8865984 0.76 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC6APPGAA
SCHEMBL13853899 0.76 ALDH1A1 (0.61) ALDH1A1HDAC1HDAC6APPGAA
Nicotinyl Methylamide SCHEMBL129458 0.76 HDAC1 (0.69) ALDH1A1HDAC1HDAC6APPGAA
Nicotinyl Methylamide SCHEMBL30664356 0.76 HDAC1 (0.69) ALDH1A1HDAC1HDAC6APPGAA

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
WO-2023196194-A2 SKIN CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2023-10-12 WO disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed