SCHEMBL22300324

SCHEMBL22300324

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ SDCBP O00560 1/20 0.31
▸ SDC2 P34741 1/20 0.31

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
SCHEMBL24269089 0.84 RXRA (0.34) MAPTMEN1KMT2AALOX15POLB
SCHEMBL20327290 0.82 ALDH1A1 (0.35) MAPTMEN1KMT2AALOX15POLB
SCHEMBL20291143 0.79 HDAC1 (0.41) —
SCHEMBL24289130 0.78 BRD4 (0.35) MAPTMEN1KMT2AALOX15SMN1; SMN2
SCHEMBL24291561 0.78 PTPN11 (0.34) —
SCHEMBL24290290 0.77 MAPK8 (0.32) MAPTPOLBALDH1A1KDM4EL3MBTL1
SCHEMBL7677830 0.77 KDM4E (0.41) MAPTMEN1KMT2AALOX15POLB
SCHEMBL24937929 0.76 HDAC1 (0.37) —
SCHEMBL22511600 0.76 UTS2R (0.32) MAPTALOX15POLBALDH1A1SMN1; SMN2
SCHEMBL25654057 0.76 ALOX15 (0.31) MAPTALOX15POLBALDH1A1SMN1; SMN2

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-2020156017-A1 TARGETED UBIQUITINATION DEGRADATION BRD4 PROTEIN COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 石药集团中奇制药技术(石家庄)有限公司 2020-08-06 — — WO disclosed
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