SCHEMBL11019019

SCHEMBL11019019

CCOc1cc(SC)ccc1-c1nc2cc(C(=O)NC)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ CHEK2 O96017 3/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL11019023 0.92 CHEK2 (0.48) HPSEPOLBMEN1KMT2AHTT
SCHEMBL11017271 0.89 NPC1 (0.47) HPSESMN1; SMN2CHEK2PLK1NPC1
SCHEMBL11018145 0.82 NPC1 (0.45) HPSEPOLBSMN1; SMN2CHEK2NPC1
SCHEMBL11017274 0.81 CHEK2 (0.56) HPSECHEK2NPC1RAB9AHSP90AA1
SCHEMBL11020863 0.79 SMN1; SMN2 (0.44) HPSEPOLBMEN1KMT2AHTT
SCHEMBL10760161 0.79 RHEB (0.47) HPSEHTTSMN1; SMN2MAPTCHEK2
SCHEMBL11019173 0.78 POLB (0.47) HPSEPOLBMEN1KMT2AHTT
SCHEMBL11021670 0.78 PDE5A (0.38) MEN1KMT2AMAPTRECQLCHEK2
SCHEMBL10759746 0.77 NPC1 (0.44) HPSEMEN1KMT2ACHEK2NPC1
SCHEMBL11020731 0.77 NPC1 (0.44) POLBMAPTTDP1CHEK2NPC1

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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