SCHEMBL30926656

SCHEMBL30926656

CC(C)C(=O)c1cc(Br)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
GLA P06280 1/20 0.61
MAPT P10636 4/20 0.54
POLB P06746 4/20 0.54
PLAU P00749 1/20 0.53
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.41
CES2 O00748 1/20 0.41
GALR3 O60755 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL22552324 0.81 KDM4E (0.56) KDM4EGLAMAPTPOLBL3MBTL1
SCHEMBL1340684 0.79 MAPT (0.51) KDM4EMAPTPOLBHTTNPC1
SCHEMBL7078523 0.79 CA12 (0.43) KDM4EGLAMAPTPOLBHTT
SCHEMBL3084781 0.79 HPGD (0.62) KDM4EMAPTPOLBHTTHPGD
SCHEMBL79936 0.79 KDM4E (0.68) KDM4EGLAMAPTPOLBPLAU
SCHEMBL29560778 0.79 KDM4E (0.68) KDM4EGLAMAPTPOLBPLAU
SCHEMBL24450657 0.78 KEAP1 (0.61) KDM4EMAPTPOLBCES2ALDH1A1
SCHEMBL2081024 0.78 RECQL (0.53) KDM4EGLAALOX15ALDH1A1KMT2A
SCHEMBL24147311 0.78 KDM4E (0.52) KDM4EGLAMAPTPOLBPLAU
SCHEMBL22552676 0.78 KDM4E (0.52) KDM4EGLAALDH1A1MYCNR4A1

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-4626423-A1 CDK INHIBITORS AND METHODS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-10-08 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed