SCHEMBL18912263

SCHEMBL18912263

CC(CO)CNC(=O)c1cnc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
HRH4 Q9H3N8 3/20 0.41
ACACB O00763 1/20 0.40
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
ACR P10323 1/20 0.37
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
AOC1 P19801 1/20 0.36
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL18912271 0.85 TP53 (0.46) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18912367 0.85 TP53 (0.48) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18912207 0.84 ACR (0.48) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12676574 0.77 TP53 (0.51) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7522000 0.76 NPC1 (0.50) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16950289 0.74 TP53 (0.49) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL22901899 0.74 SMN1; SMN2 (0.53) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18912208 0.73 RAB9A (0.47) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL22372181 0.72 SMN1; SMN2 (0.51) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31688156 0.71 TP53 (0.49) TP53SMN1; SMN2NPC1RAB9AKMT2A

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
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed