SCHEMBL28348666

SCHEMBL28348666

COc1ccc(-c2cnccc2Nc2ccc(-c3nnc(NC(=O)CCC(=O)Nc4nnc(-c5ccc(Br)cc5)s4)s3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.55
HDAC2 Q92769 6/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.47
BLM P54132 1/20 0.47
PRKACA P17612 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44

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
SCHEMBL28348669 0.91 RAB9A (0.53) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28352563 0.89 HDAC1 (0.54) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28348729 0.88 HDAC1 (0.57) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL20522279 0.86 RAB9A (0.58) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28352301 0.83 HDAC1 (0.56) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28352566 0.80 BLM (0.46) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28348977 0.79 HDAC1 (0.51) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28348731 0.79 RAB9A (0.52) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28349051 0.79 HDAC1 (0.48) HDAC1HDAC2HPGDSMN1; SMN2MAPT
SCHEMBL28352626 0.78 HPGD (0.48) HDAC1HDAC2HPGDSMN1; SMN2MAPT

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-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
CN-110719910-A Novel inhibitors 前体生物药物股份公司 2020-01-21 CN disclosed