SCHEMBL11357489

SCHEMBL11357489

Brc1ccc(SCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NR1H4 Q96RI1 2/20 0.54
▸ NOTUM Q6P988 1/20 0.54
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL11351553 0.87 L3MBTL1 (0.64) HDAC8L3MBTL1ALDH1A1NR1H4NOTUM
SCHEMBL11174792 0.78 MAPT (0.44) HDAC8L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL11174901 0.77 L3MBTL1 (0.48) HDAC8L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL11161665 0.77 NOTUM (0.54) HDAC8L3MBTL1ALDH1A1NR1H4NOTUM
SCHEMBL11152712 0.72 NOTUM (0.49) HDAC8L3MBTL1ALDH1A1NR1H4NOTUM
SCHEMBL21776935 0.72 NOTUM (0.70) L3MBTL1ALDH1A1NR1H4NOTUMNPC1
SCHEMBL91656 0.71 SMN1; SMN2 (0.70) L3MBTL1ALDH1A1NR1H4NOTUMNPC1
SCHEMBL2810636 0.71 NR1H4 (1.00) L3MBTL1ALDH1A1NR1H4NPC1RAB9A
SCHEMBL4865565 0.71 NOTUM (1.00) HDAC8L3MBTL1ALDH1A1NR1H4NOTUM
SCHEMBL7254229 0.71 NOTUM (0.68) HDAC8L3MBTL1ALDH1A1NR1H4NOTUM

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
US-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
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