SCHEMBL28548191

SCHEMBL28548191

NC(=O)O[C@H](Cc1ccccc1)Cc1c[nH]c2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
GPR84 Q9NQS5 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL28548193 1.00 KDM4E (0.43) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29199770 0.86 KDM4E (0.58) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29199765 0.86 KDM4E (0.58) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29199763 0.83 CYP3A4 (0.43) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL23100720 0.77 ECE1 (0.49) KMT2AITGB2ICAM1ITGALGPR84
SCHEMBL23100722 0.77 ECE1 (0.49) KMT2AITGB2ICAM1ITGALGPR84
SCHEMBL29199793 0.75 TACR1 (0.49) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29199791 0.75 TACR1 (0.49) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL7016302 0.74 KMT2A (0.66) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL31370083 0.74 KMT2A (0.66) KDM4EMAPTMEN1KMT2ALMNA

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-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
CN-112437685-A Solid forms of 3- ((1R,3R) -1- (2, 6-difluoro-4- ((1- (3-fluoropropyl) azetidin-3-yl) amino) phenyl) -3-methyl-1, 3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indol-2-yl) -2, 2-difluoropropan-1-ol and methods of making fused tricyclic compounds containing a substituted phenyl or pyridinyl moiety, including methods of use thereof 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed