SCHEMBL29199765

SCHEMBL29199765

NC(=O)O[C@H](Cc1ccccc1)Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SLC6A2 P23975 2/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CTSL P07711 1/20 0.52
ALDH1A1 P00352 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
SCHEMBL29199770 1.00 KDM4E (0.58) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28561984 0.87 MAPT (0.57) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28561983 0.87 MAPT (0.57) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28548193 0.86 KDM4E (0.43) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28548191 0.86 KDM4E (0.43) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28707992 0.86 MAPT (0.56) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL28707990 0.86 MAPT (0.56) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL29199791 0.83 TACR1 (0.49) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL27484962 0.81 MAPT (0.59) KDM4EMAPTMEN1TSHRKMT2A
SCHEMBL27484963 0.81 MAPT (0.59) KDM4EMAPTMEN1TSHRKMT2A

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-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed