SCHEMBL21452365

SCHEMBL21452365

Cc1nnc(CNCCO)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TRPM5 Q9NZQ8 1/20 0.36
CD274 Q9NZQ7 4/20 0.33
PDCD1 Q15116 3/20 0.33
TP53 P04637 1/20 0.33
MME P08473 1/20 0.33
GSR P00390 2/20 0.32
TYMP P19971 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
UPP1 Q16831 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL10862575 0.81 OGA (0.44) OGASMN1; SMN2NPC1RAB9ATRPM5
SCHEMBL2258773 0.78 OGA (0.40) OGASMN1; SMN2NPC1RAB9ATRPM5
SCHEMBL22966747 0.77 GSR (0.39) SMN1; SMN2NPC1RAB9AGSRMAPT
SCHEMBL16373614 0.73
SCHEMBL4324910 0.72
SCHEMBL6936153 0.71 MME (0.48) OGASMN1; SMN2NPC1RAB9ATRPM5
SCHEMBL13398310 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL4771732 0.69 MME (0.44) OGASMN1; SMN2NPC1RAB9ATRPM5
SCHEMBL17788454 0.68 TRPM5 (0.38) OGASMN1; SMN2NPC1RAB9ATRPM5
SCHEMBL16366959 0.68 TP53 (0.47) SMN1; SMN2NPC1RAB9ATP53MAPT

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-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO disclosed