SCHEMBL22213296

SCHEMBL22213296

Cc1cc(F)ccc1-n1c(CN(C)C=O)nc2sc3c(c2c1=O)CCN(C)C3

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.54
▸ MEN1 O00255 13/20 0.54
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL23964640 0.84 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23964663 0.82 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23964783 0.77 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20769501 0.71 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL29694300 0.71 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6034967 0.65 TGM2 (0.70) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23964784 0.64 MKNK1 (0.36) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6033436 0.64 KMT2A (0.77) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6034970 0.62 TGM2 (1.00) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6987974 0.61 HTR1A (0.81) —

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
EP-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3680243-A1 PENTACYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2020-07-15 — — EP disclosed
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