SCHEMBL31398615

SCHEMBL31398615

CNC(=S)Nc1ccc(C(=O)OC)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
HCAR3 P49019 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
NNMT P40261 1/20 0.44
DEGS1 O15121 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL31398683 0.81 NPC1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL1854705 0.81 MAPK1 (0.59) MAPK1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6984008 0.80 HCAR3 (0.68) MAPK1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL23320436 0.80 RAB9A (0.54) MAPK1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL19151089 0.77 MAPK1 (0.54) MAPK1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL13623144 0.76 HPGD (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL14505713 0.76 HCAR3 (0.72) MAPK1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL23003014 0.76 MAPK1 (0.53) MAPK1L3MBTL1KDM4EHCAR3DEGS1
SCHEMBL13739418 0.76 MAPK1 (0.61) MAPK1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL2772417 0.75 MAPK1 (0.51) MAPK1L3MBTL1KDM4EHCAR3ALDH1A1

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-2025039979-A1 PROTEIN ARGININE METHYLTRANSFERASE-5 INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-02-27 WO disclosed