SCHEMBL28048829

SCHEMBL28048829

Cc1nc(NC(=S)OC(N)=O)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 9/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL4557665 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP1A2KMT2A
SCHEMBL25346779 0.76 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11410257 0.75 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1269767 0.75 RAB9A (0.60) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2773834 0.75 SMN1; SMN2 (0.64) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28015608 0.74 NPC1 (0.49) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1181120 0.74 RAB9A (0.52) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1684582 0.73 HPGD (0.57) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL12317134 0.71 KMT2A (0.59) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3923726 0.71 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2

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
CN-102858768-B Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-20 CN disclosed