SCHEMBL30101774

SCHEMBL30101774

CCCCc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 3/20 0.75
CASP3 P42574 9/20 0.65
SENP8 Q96LD8 9/20 0.65
SENP7 Q9BQF6 9/20 0.65
SENP6 Q9GZR1 9/20 0.65
CSNK1D P48730 2/20 0.55
DHODH Q02127 1/20 0.53
DYRK1A Q13627 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
SCD O00767 2/20 0.50

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
SCHEMBL28849839 1.00 PCSK9 (0.75) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL28849833 0.86 PCSK9 (1.00) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL30101738 0.86 PCSK9 (1.00) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL14468043 0.85 MAP3K5 (0.67) CSNK1DDHODHDYRK1ANPC1RAB9A
SCHEMBL28849881 0.82 CASP3 (0.69) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL30101678 0.82 CASP3 (0.69) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL30675318 0.81 PCSK9 (1.00) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL28849849 0.81 PCSK9 (1.00) PCSK9CASP3SENP8SENP7SENP6
SCHEMBL5447236 0.81 DHODH (0.59) CSNK1DDHODHDYRK1ANPC1RAB9A
SCHEMBL14808404 0.80 DHODH (0.78) CASP3SENP8SENP7SENP6DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed
CN-115109011-A Benzothiazole compound, preparation method and application 河北师范大学 2022-09-27 CN disclosed