SCHEMBL24289130

SCHEMBL24289130

NC(=O)C(CCC=O)N1Cc2c(NC3CCNC3)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.35
▸ ATAD2 Q6PL18 2/20 0.35
▸ RPS6KB1 P23443 1/20 0.33
▸ BPTF Q12830 2/20 0.32
▸ SYK P43405 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHEK2 O96017 2/20 0.30
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL24291561 0.83 PTPN11 (0.34) SYKMAPK1
SCHEMBL22300324 0.78 MAPT (0.34) MAPTPARP1MEN1KMT2AALOX15
SCHEMBL24291623 0.77 PIM1 (0.37) BRD4MAPK1PARP1KMT2A
SCHEMBL20327290 0.76 ALDH1A1 (0.35) BRD4MAPTPARP1MEN1KMT2A
SCHEMBL20291143 0.76 HDAC1 (0.41) —
SCHEMBL22512205 0.76 UTS2R (0.40) —
SCHEMBL24269089 0.75 RXRA (0.34) MAPTMEN1KMT2AALOX15SMN1; SMN2
SCHEMBL22511600 0.72 UTS2R (0.32) MAPTALOX15SMN1; SMN2
SCHEMBL24937929 0.72 HDAC1 (0.37) —
SCHEMBL24290290 0.72 MAPK8 (0.32) BRD4AURKBMAPT

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
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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