SCHEMBL20780229

SCHEMBL20780229

Cc1ccccc1NC(C)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX7 Q99572 1/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
ANPEP P15144 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7026512 0.85 KMT2A (0.45) MAPTHTTNPC1RAB9AHPGD
SCHEMBL14930874 0.82 ALDH1A1 (0.50) MAPTHTTNPC1RAB9AP2RX7
SCHEMBL23747256 0.81 MAPT (0.44) MAPTHTTNPC1RAB9AP2RX7
SCHEMBL27360925 0.78 MAPT (0.45) MAPTHTTNPC1RAB9AP2RX7
SCHEMBL23774851 0.78 MAPT (0.45) MAPTHTTNPC1RAB9AP2RX7
SCHEMBL16722184 0.78 HDAC3 (0.40) MAPTHTTRAB9AHPGDALDH1A1
SCHEMBL16722187 0.78 HDAC3 (0.40) MAPTHTTRAB9AHPGDALDH1A1
SCHEMBL30797262 0.78 ITGB1 (0.53) MAPTNPC1RAB9AP2RX7HPGD
SCHEMBL10412991 0.78 ALOX12 (0.40) MAPTALDH1A1L3MBTL1SCN1ASCN2A
Hydrochloric Acid SCHEMBL10880000 0.77 GABRA1 (0.47) MAPTHPGDL3MBTL1GAACYP1A2

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-2019046364-A1 INHIBITORS OF RSV REPLICATION AND APPLICATIONS THEREOF EMORY UNIVERSITY (US) 2019-03-07 WO disclosed