SCHEMBL28642002

SCHEMBL28642002

O=C1C=Cc2cc(Br)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
METAP1 P53582 1/20 0.42
TRPA1 O75762 1/20 0.41
TDP2 O95551 2/20 0.41
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PARP10 Q53GL7 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
PNMT P11086 1/20 0.36
CES2 O00748 1/20 0.35
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 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
SCHEMBL563921 0.76 TRPA1 (0.57) CMA1AHRMETAP1TRPA1TDP2
SCHEMBL8086692 0.76 TYR (0.41) GSK3AGSK3BCES2MAOAMAOB
SCHEMBL14095626 0.76 TRPA1 (0.38) CMA1AHRMETAP1TRPA1TDP2
SCHEMBL9211830 0.75 TDP1 (0.45) CMA1AHRMETAP1TRPA1TDP2
SCHEMBL6230840 0.73 GSK3A (0.50) GSK3AGSK3B
SCHEMBL998768 0.73 GSK3A (0.36) TRPA1GSK3AGSK3B
SCHEMBL9574412 0.73 KDM4E (0.39) GSK3AGSK3BTDP1CES2HPGD
SCHEMBL1143146 0.72 METAP1 (0.47) METAP1CES2MAOAMAOB
SCHEMBL3128521 0.72 ALDH1A1 (0.50) TDP2TDP1L3MBTL1CYP2C19CA12
SCHEMBL5479958 0.72 GSK3A (0.48) GSK3AGSK3B

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-113354537-B Polymerizable compound, liquid crystal composition, and liquid crystal display device 达兴材料股份有限公司 2024-11-08 CN disclosed
CN-113354537-A Polymerizable compound, liquid crystal composition and liquid crystal display device 达兴材料股份有限公司 2021-09-07 CN disclosed