SCHEMBL28075880

SCHEMBL28075880

COc1ccc(Cl)cc1C(=O)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
KCNMA1 Q12791 4/20 0.61
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HIF1A Q16665 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5056515 0.86 LMNA (0.56) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL9720636 0.83 LMNA (0.65) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL10552875 0.83 LMNA (0.60) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL20247900 0.82 LMNA (0.59) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL2308262 0.82 LMNA (0.59) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL15692727 0.82 HSD11B1 (0.59) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL406034 0.82 LMNA (0.59) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL48961 0.81 MRGPRX4 (0.64) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL30100412 0.81 MRGPRX4 (0.64) LMNAKCNMA1MEN1KMT2AALDH1A1
SCHEMBL28616949 0.81 POLB (0.58) LMNAMEN1KMT2AALDH1A1MAPK1

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-106459039-A 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2017-02-22 CN disclosed
CN-103917529-B 2-Thiopyrimidinones 辉瑞大药厂 2016-08-17 CN disclosed