SCHEMBL9497675

SCHEMBL9497675

S=c1[nH]c2cc(Cl)ccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 12/20 1.00
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 3/20 1.00
HPGD P15428 3/20 1.00
GAA P10253 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2C9 P11712 1/20 1.00
MAPT P10636 2/20 0.75
MEN1 O00255 1/20 0.75
GFER P55789 1/20 0.75
KMT2A Q03164 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
CMA1 P23946 1/20 0.61
ALOX15 P16050 2/20 0.59
CYP3A4 P08684 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HAVCR2 Q8TDQ0 1/20 0.48

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
SCHEMBL11462753 0.86 ALDH1A1 (1.00) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL11110131 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL30537992 0.76 CMA1 (1.00) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL18791144 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL33524077 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL24805460 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL14403267 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EHPGDGAA
SCHEMBL507970 0.76 CMA1 (1.00) PSMB8ALDH1A1KDM4EHPGDGAA
2-Mercaptobenzothiazole SCHEMBL29433968 0.74 PSMB8 (1.00) PSMB8ALDH1A1KDM4EHPGDGAA
2-Mercaptobenzothiazole SCHEMBL408087 0.74 PSMB8 (1.00) PSMB8ALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118808665-A Nano gold particle and preparation method and application thereof 南方科技大学 2024-10-22 CN disclosed
US-20230033200-A1 RUBBER COMPOSITION AND CROSSLINKED RUBBER MOLDED PRODUCT SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2023-02-02 US disclosed
US-20220411606-A1 RUBBER COMPOSITION AND CROSSLINKED RUBBER MOLDED PRODUCT SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-12-29 US disclosed
EP-0324481-B1 STORAGE STABLE PHOTOPOLYMERIZABLE COMPOSITION FOR REFRACTIVE INDEX IMAGING E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
CN-1035004-A The refractive index imaging photopolymerization material of stable storage DU PONT (US) 1989-08-23 CN disclosed