SCHEMBL21964290

SCHEMBL21964290

N#Cc1ccccc1NC(=O)[C@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ CTSC P53634 2/20 0.50
▸ PFKFB3 Q16875 7/20 0.48
▸ PFKFB2 O60825 6/20 0.48
▸ PFKFB1 P16118 6/20 0.48
▸ GAA P10253 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1294945 0.81 HDAC2 (0.60) CTSCHDAC3HDAC4HDAC1HDAC7
SCHEMBL1294947 0.81 HDAC2 (0.60) CTSCHDAC3HDAC4HDAC1HDAC7
SCHEMBL7692266 0.80 HDAC2 (0.50) CTSCGAAHDAC3HDAC4HDAC1
SCHEMBL7692271 0.80 HDAC2 (0.50) CTSCGAAHDAC3HDAC4HDAC1
SCHEMBL10327019 0.79 SCN4A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12837649 0.79 HDAC1 (0.49) CTSCHDAC3HDAC4HDAC1HDAC7
SCHEMBL2200641 0.79 CYP2C19 (0.56) KMT2ACTSCHDAC3HDAC4HDAC1
SCHEMBL12649141 0.79 HDAC2 (0.52) KMT2ACTSCHDAC3HDAC4HDAC1
SCHEMBL2200636 0.79 CYP2C19 (0.56) KMT2ACTSCHDAC3HDAC4HDAC1
SCHEMBL10326402 0.79 SCN4A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 — — EP disclosed
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