SCHEMBL16581118

SCHEMBL16581118

C=Cc1cc(Cl)cc(C(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ TPMT P51580 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NLRP1 Q9C000 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAOB P27338 5/20 0.31
▸ MAOA P21397 4/20 0.31

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
SCHEMBL21338765 0.86 CA5A (0.46) RAB9ACA5ANPC1SMN1; SMN2MAPT
SCHEMBL16953741 0.84 RAB9A (0.34) RAB9ATPMTPTGS1CYP17A1
SCHEMBL16958524 0.81 RAB9A (0.33) RAB9ATPMT
SCHEMBL16951541 0.81 PARP1 (0.46) RAB9ATPMTHCAR1SMN1; SMN2MAPT
SCHEMBL111207 0.79 TPMT (0.59) RAB9ATPMTCA5AHCAR1NPC1
SCHEMBL16956861 0.78 RAB9A (0.34) RAB9A
Hydrochloric Acid SCHEMBL28868737 0.77 TPMT (0.56) RAB9ATPMTCA5AHCAR1NPC1
SCHEMBL31646897 0.76 STAT3 (0.34) RAB9ATPMTSMN1; SMN2MAPTMEN1
SCHEMBL12187820 0.74 MAPT (0.39) CA5ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1259073 0.73 TSHR (0.50) RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015037675-A1 BENZOTHIENOPYRIMIDINE COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-03-19 — — WO disclosed
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