SCHEMBL22649481

SCHEMBL22649481

COC(=C=O)c1cccc(C(=N)NC(=O)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.40
ALDH1A1 P00352 3/20 0.37
S1PR4 O95977 3/20 0.37
S1PR2 O95136 1/20 0.36
MAPT P10636 1/20 0.35
S1PR1 P21453 3/20 0.34
S1PR5 Q9H228 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTNR1B P49286 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20194121 0.76 F2 (0.46) S1PR3ALDH1A1S1PR4S1PR2MAPT
SCHEMBL21998506 0.74 ALDH1A1 (0.51) S1PR3ALDH1A1S1PR4S1PR2MAPT
SCHEMBL10298010 0.66 TSHR (0.53) ALDH1A1L3MBTL1
SCHEMBL20194125 0.66 GAA (0.41) ALDH1A1MAPTGAAKMT2AHSD17B10
SCHEMBL20194159 0.65 KDM4E (0.52) S1PR3S1PR4S1PR2S1PR1S1PR5
SCHEMBL10814700 0.64 TSHR (0.54) S1PR3ALDH1A1S1PR4MAPTKMT2A
SCHEMBL27722471 0.62 TSHR (0.57) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL60081 0.62 TSHR (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL4269304 0.62 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL12095675 0.62 GAA (0.44) ALDH1A1MAPTGAAKMT2AHSD17B10

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
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed