SCHEMBL27377656

SCHEMBL27377656

COc1cc(CN2C(=O)c3ccccc3C2=O)cc(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.66
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CMA1 P23946 1/20 0.53
RAB9A P51151 1/20 0.53
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
RPS6KA2 Q15349 2/20 0.51

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
SCHEMBL30761908 1.00 CASP3 (0.66) CASP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL30761909 1.00 CASP3 (0.66) CASP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL16635672 0.90 CASP3 (0.58) CASP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL18669155 0.87 KMT2A (0.75) CASP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL31752966 0.86 KMT2A (0.63) CASP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL30296449 0.85 CASP3 (0.88) CASP3KDM4EMEN1KMT2ACMA1
SCHEMBL45154 0.85 CASP3 (0.88) CASP3KDM4EMEN1KMT2ACMA1
SCHEMBL17029125 0.82 CASP3 (0.66) CASP3MEN1KMT2AALDH1A1POLB
SCHEMBL2297050 0.80 CASP3 (0.57) CASP3KDM4EMEN1KMT2ARAB9A
SCHEMBL4728227 0.80 TDP1 (0.66) CASP3KDM4EMEN1KMT2AALDH1A1

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-2024057190-A2 TARGETED COMPOSITIONS GENEVANT SCIENCES GMBH (CH) 2024-03-21 WO disclosed