SCHEMBL28790754

SCHEMBL28790754

CC(=O)N(Cl)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ TSHR P16473 3/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ ADORA1 P30542 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL6864551 0.81 NPC1 (0.56) NPC1RAB9ALMNATP53CASP3
SCHEMBL11258407 0.80 HTR2C (0.43) NPC1RAB9ALMNATP53CASP3
SCHEMBL11013469 0.79 NPC1 (0.51) NPC1RAB9ALMNATP53CASP3
SCHEMBL9332923 0.78 TSHR (0.61) NPC1RAB9ALMNATP53CASP3
SCHEMBL2939270 0.75 NPC1 (0.75) NPC1RAB9ALMNATP53CASP3
SCHEMBL12351738 0.75 RAB9A (1.00) NPC1RAB9ALMNATP53CASP3
SCHEMBL9332113 0.75 TSHR (0.53) NPC1RAB9ALMNATP53CASP3
SCHEMBL11856748 0.74 NPC1 (0.68) NPC1RAB9ALMNATP53CASP3
SCHEMBL9065692 0.74 ALOX15 (0.73) NPC1RAB9ALMNATP53CASP3
SCHEMBL13763546 0.74 NPC1 (0.59) NPC1RAB9ALMNATP53CASP3

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
CN-102070564-B Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2012-11-21 — — CN claimed
CN-102070564-A Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2011-05-25 — — CN claimed
CN-102070564-B Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2012-11-21 — — CN disclosed
CN-102070564-A Benzothiazole alkyl xanthate derivative and preparation method and application thereof UNIV DONGGUAN TECHNOLOGY 2011-05-25 — — CN disclosed
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