SCHEMBL28629692

SCHEMBL28629692

CCCOc1ccc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CSNK2A1 P68400 2/20 0.38
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL29479209 0.91 CYP1A2 (0.42) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL7911521 0.91 CYP1A2 (0.42) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL15087087 0.89 L3MBTL1 (0.42) HPGDMAPTMEN1KMT2AL3MBTL1
SCHEMBL19450271 0.88 MAPT (0.48) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL27945646 0.87 THRA (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL9706362 0.87 THRA (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL6689239 0.87 THRA (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL5866536 0.87 THRA (0.43) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL30189397 0.86 HPGD (0.41) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL1243244 0.86 HPGD (0.41) HPGDMAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354607-B Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2023-12-05 CN disclosed
CN-116375671-A Preparation method of liquid crystal compound containing tetrahydropyran structure 晶美晟光电材料(南京)有限公司 2023-07-04 CN disclosed
CN-113354607-A Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2021-09-07 CN disclosed