SCHEMBL27459490

SCHEMBL27459490

O=C(c1ccccc1)N1C=CSC1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.40
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL4957989 0.79 ACHE (0.39) P2RX4ACHEBCHEHPGDATM
Bromide SCHEMBL27613563 0.77 ACHE (0.44) P2RX4ACHEBCHEHPGDATM
SCHEMBL27586606 0.77 BCHE (0.42) ACHEBCHEHPGDALDH1A1KMT2A
SCHEMBL28065316 0.77
SCHEMBL27472914 0.73 GSK3B (0.42) HPGDGSK3AGSK3BALDH1A1MAPT
SCHEMBL27672167 0.63 BCHE (0.48) P2RX4ACHEBCHEHPGDSIGMAR1
SCHEMBL12256049 0.63 TSHR (0.55) P2RX4ACHEBCHEHPGDCHRNB2
SCHEMBL28405214 0.60 HPGD (0.45) P2RX4ACHEBCHEHPGDSIGMAR1
Benzoic Acid SCHEMBL28235721 0.60 TSHR (0.82) GSK3BALDH1A1MAPTCYP2C19TSHR
SCHEMBL11792243 0.59 P2RX4 (0.59) P2RX4ACHEBCHEHPGDSIGMAR1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874775-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-25 CN disclosed
CN-119841865-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-18 CN disclosed
CN-119823184-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-04-15 CN disclosed
CN-119343343-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed
CN-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed
CN-119255988-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-03 CN disclosed
CN-119072474-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2024-12-03 CN disclosed
CN-118922189-A Novel prodrugs derived from niacin and ribose 线粒体能量有限公司 2024-11-08 CN disclosed
CN-115698003-B Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2024-10-11 CN disclosed
CN-116615430-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-18 CN disclosed
CN-102112440-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2011-06-29 CN disclosed
CN-102066328-A Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-18 CN disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
CN-101384251-A Solid preparation containing insulin sensitizer TAKEDA PHARMACEUTICAL (JP) 2009-03-11 CN disclosed
CN-101151260-A Benzimidazole derivative and use as angiotensin ii antagonist TAKEDA PHARMACEUTICAL (JP) 2008-03-26 CN disclosed
CN-1761465-A Method for manufacturing coated formulation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-04-19 CN disclosed
CN-1142778-C Use of thiazolium compounds for preventing and reversing the formation of advanced glycosylation endproducts 2004-03-24 CN disclosed
CN-1407975-A Crystals of an oxyiminoalkanoic acid derivative and their use as antidiabetics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-02 CN disclosed
CN-1185736-A Use of thiazolium compounds for preventing and preverting the formation of advanced glycosylation endproducts ALTEON INC (US) 1998-06-24 CN disclosed