SCHEMBL22607352

SCHEMBL22607352

CNc1c(CN2CCCC2)nn(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.39
SIGMAR1 Q99720 7/20 0.35
NCF1 P14598 1/20 0.34
TMEM97 Q5BJF2 4/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL17127620 0.79 SIGMAR1 (0.39) NMT1SIGMAR1TMEM97
SCHEMBL17127725 0.73 SIGMAR1 (0.43) NMT1SIGMAR1TMEM97
SCHEMBL17490537 0.70 NMT1 (0.45) NMT1
SCHEMBL21968826 0.70 SIGMAR1 (0.37) NMT1SIGMAR1TMEM97
SCHEMBL762265 0.67 GAA (0.46) NMT1
Hydrochloric Acid SCHEMBL28062471 0.65 GAA (0.48) NMT1
SCHEMBL16200403 0.64 MC4R (0.41) NMT1NCF1PRMT6
SCHEMBL16200064 0.62 CYP2A13 (0.42)
SCHEMBL21338445 0.61 ALDH1A1 (0.48) SIGMAR1
SCHEMBL31010105 0.61 ALDH1A1 (0.48) SIGMAR1

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-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 EP disclosed