SCHEMBL22461004

SCHEMBL22461004

C=C(/C=C/c1ccccc1C)Cc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL22445611 0.84 RAB9A (0.49) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL22461002 0.84 RAB9A (0.49) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL22445612 0.84 RAB9A (0.49) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL903372 0.76 RAB9A (0.41) RAB9AALDH1A1HPGDL3MBTL1HTT
SCHEMBL8349679 0.76 RAB9A (0.41) RAB9AALDH1A1HPGDL3MBTL1HTT
SCHEMBL2720009 0.72 TRPM8 (0.69) NPC1ALDH1A1L3MBTL1HTT
SCHEMBL2720006 0.72 TRPM8 (0.69) NPC1ALDH1A1L3MBTL1HTT
SCHEMBL26539118 0.72 ALDH1A1 (0.43) RAB9APOLBALDH1A1HPGDL3MBTL1
SCHEMBL3814687 0.71 POLB (0.40) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL8859640 0.70 ALDH1A1 (0.45) RAB9ANPC1POLBALDH1A1SMN1; 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
WO-2020191151-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2020-09-24 — — WO disclosed
Send feedback