SCHEMBL28409192

SCHEMBL28409192

O=C(O)C(O)Cc1c[nH]c2cccc(Br)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
DNMT1 P26358 1/20 0.44
CASP6 P55212 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A6 P11509 1/20 0.44
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
APAF1 O14727 1/20 0.43

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
SCHEMBL7485100 0.84 KMT2A (0.62) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL7485105 0.84 KMT2A (0.62) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL18029238 0.84 KMT2A (0.62) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL28409195 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL24328360 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL24328926 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL24328922 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL23226236 0.81 ITGB2 (0.43) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL24328929 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTMEN1POLB
SCHEMBL24328917 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTMEN1POLB

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-111303001-B Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound 苏州爱玛特生物科技有限公司 2022-12-20 CN disclosed
CN-111303001-A Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound 苏州爱玛特生物科技有限公司 2020-06-19 CN disclosed