SCHEMBL16581242

SCHEMBL16581242

Cc1c(C(=O)c2ccc(S)cc2)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ MAPT P10636 5/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ AHR P35869 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ EYA3 Q99504 1/20 0.49

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
SCHEMBL30608268 0.88 NPC1 (0.73) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL30608270 0.87 NPC1 (0.66) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL11823271 0.86 EYA3 (0.66) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL30608264 0.85 MAPT (0.69) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL30608273 0.85 PTPN1 (0.59) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7437950 0.85 SMN1; SMN2 (0.69) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3699309 0.85 SMN1; SMN2 (0.69) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL11823964 0.82 MAPT (0.73) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
Acetic Acid SCHEMBL5511893 0.79 MAPT (0.68) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL25472764 0.77 KCNH2 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A

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-2015036910-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2015-03-19 — — WO disclosed
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