SCHEMBL8561978

SCHEMBL8561978

O=C(c1cccs1)C(Br)Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
KEAP1 Q14145 1/20 0.58
DAO P14920 1/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
HDAC1 Q13547 1/20 0.52
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGDS O60760 1/20 0.48
GSK3B P49841 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 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
SCHEMBL3998537 0.83 CES2 (0.55) CES2CES1KEAP1DAORAB9A
SCHEMBL2956379 0.83 RAB9A (0.55) CES2CES1KEAP1DAORAB9A
SCHEMBL6197413 0.81 RAB9A (0.56) CES2CES1KEAP1DAORAB9A
SCHEMBL26056789 0.80 CES2 (0.66) CES2CES1KEAP1DAORAB9A
SCHEMBL1937375 0.78 RAB9A (0.58) CES2CES1KEAP1DAORAB9A
SCHEMBL3999322 0.78 CES2 (0.58) CES2CES1KEAP1DAORAB9A
SCHEMBL619898 0.78 CES2 (0.64) CES2CES1KEAP1DAORAB9A
SCHEMBL28063686 0.77 HPGDS (0.58) CES2CES1KEAP1DAORAB9A
SCHEMBL7823510 0.77 DAO (0.50) CES2CES1KEAP1DAORAB9A
SCHEMBL23793030 0.77 RAB9A (0.56) CES2CES1KEAP1DAORAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62190105-A None JP disclosed
CN-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed
JP-S62190105-A SLIME CONTROLLER FOR PAPER MAKING KANAGAWA PREF GOV 1987-08-20 JP disclosed
US-4266067-A Process for preparing thiophene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-05-05 US disclosed
US-4219659-A Process for the preparation of thiophene derivatives and thiophene derivatives obtained therethrough SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-08-26 US disclosed