SCHEMBL11019270

SCHEMBL11019270

CCCOC(=O)c1ccc2[nH]c(-c3ccc(SC)cc3OC)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 5/20 0.41
▸ HSP90AA1 P07900 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKN1 Q16512 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
SCHEMBL11019275 0.92 CHEK2 (0.48) KDM4EPOLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL10760161 0.88 RHEB (0.47) KDM4EMAPTHSP90AA1SMN1; SMN2LMNA
SCHEMBL11020731 0.85 NPC1 (0.44) POLBMAPTHSP90AA1TP53RAB9A
SCHEMBL10759746 0.85 NPC1 (0.44) KDM4EHSP90AA1MEN1KMT2ALMNA
SCHEMBL11022048 0.84 CHEK2 (0.55) HSP90AA1RAB9ANPC1PKMCHEK2
SCHEMBL11018145 0.83 NPC1 (0.45) POLBHSP90AA1SMN1; SMN2TP53RAB9A
SCHEMBL11020382 0.82 NPC1 (0.42) HSP90AA1RAB9ANPC1PKMCHEK2
SCHEMBL11017271 0.82 NPC1 (0.47) HSP90AA1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL11019650 0.81 CHEK2 (0.43) KDM4EMAPTSMN1; SMN2LMNATP53
SCHEMBL11019907 0.80 CHEK2 (0.53) KDM4EMAPTHSP90AA1SMN1; SMN2LMNA

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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