SCHEMBL9016292

SCHEMBL9016292

CCCSc1ccc2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL4054163 0.78 NPC1 (0.47) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL21778995 0.77 NPC1 (0.41) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL11706963 0.76 ALDH1A1 (0.43) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL10384499 0.74 NPC1 (0.47) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL10384497 0.74 NPC1 (0.51) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL10384501 0.73 RAB9A (0.44) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL23366727 0.72 ALDH1A1 (0.48) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL9178965 0.72 PKM (0.48) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL9722700 0.72 CYP3A4 (0.62) NPC1RAB9AKDM4EL3MBTL1KMT2A
SCHEMBL14532294 0.71 NPC1 (0.48) TAS1R3TAS1R1NPC1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5505310-A FLOTATION OF SULFIDES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1996-04-09 — — US disclosed
EP-0615467-B1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES CONSIGLIO NAZIONALE RICERCHE (IT) 1995-08-23 — — EP disclosed
EP-0615467-A1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES. CONSIGLIO NAZIONALE RICERCHE (IT) 1994-09-21 — — EP disclosed
WO-1993010903-A1 2-MERCAPTO-BENZOXAZOLE DERIVATIVES AS COLLECTORS FOR THE SELECTIVE FLOTATION OF METAL ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1993-06-10 — — WO disclosed
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