SCHEMBL23745244

SCHEMBL23745244

O=C1NC(=O)[C@@H](c2ccccn2)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.51
CRBN Q96SW2 2/20 0.51
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL2563428 1.00 DDB1 (0.51) DDB1CRBNALDH1A1KMT2ARAB9A
SCHEMBL20805394 0.78 ALDH1A1 (0.56) DDB1CRBNALDH1A1KMT2ARAB9A
SCHEMBL19510001 0.77 DDB1 (0.43) DDB1CRBNALDH1A1KMT2ARAB9A
SCHEMBL14467184 0.76 KDM4E (0.49) DDB1CRBNALDH1A1RAB9AMAPT
SCHEMBL14467140 0.75 TDP1 (0.40) DDB1CRBNALDH1A1RAB9AMAPT
SCHEMBL14466142 0.74 NPC1 (0.38) DDB1CRBNALDH1A1RAB9AMAPT
SCHEMBL9822927 0.73 MAPT (0.46) ALDH1A1KMT2ARAB9AMAPTNPC1
SCHEMBL10242830 0.71 ALDH1A1 (0.44) DDB1CRBNALDH1A1KMT2ARAB9A
SCHEMBL13363233 0.71 TDP1 (0.40) ALDH1A1MAPTTSHRTDP1GSK3B
SCHEMBL395878 0.71 TDP1 (0.66) DDB1CRBNALDH1A1KMT2AMAPT

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-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed