SCHEMBL30108095

SCHEMBL30108095

O=S(=O)(O)c1ccc2ccc3sc(-c4ccc5ccccc5n4)nc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
PTGS2 P35354 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CASP6 P55212 1/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33

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
SCHEMBL30926166 0.81 RAB9A (0.46) RAB9ANPC1ALDH1A1HPGDHTT
SCHEMBL21000677 0.73 RAB9A (0.43) RAB9ANPC1ALDH1A1HPGDGAA
SCHEMBL30429916 0.69 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDGAA
SCHEMBL2245316 0.69 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDGAA
SCHEMBL19452558 0.68 NPC1 (0.42) RAB9ANPC1ALDH1A1HPGDGAA
SCHEMBL388593 0.67 HSD17B10 (0.53) PTPN11ALDH1A1GAAHSD17B10CYP2C9
SCHEMBL2964080 0.66 MIF (0.60) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL10770352 0.66 HDAC6 (0.66) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL10770346 0.66 RAB9A (0.61) PTPN11PTGS2RAB9ANPC1ALDH1A1
SCHEMBL14514049 0.65 ALDH1A1 (0.62) PTPN11ALDH1A1HPGDGAAHSD17B10

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-115417833-B Synthesis method of 2-amido naphtho [1,2-d ] thiazole 池州学院 2024-05-28 CN disclosed
CN-115417833-A Synthesis method of 2-acylamino naphtho [1,2-d ] thiazole 池州学院 2022-12-02 CN disclosed