SCHEMBL24619210

SCHEMBL24619210

CC(=O)c1cc(C)nc2ccc(Br)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 4/20 0.69
GAA P10253 2/20 0.69
ATM Q13315 1/20 0.60
HTT P42858 2/20 0.56
RXFP1 Q9HBX9 6/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PRNP P04156 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PPARG P37231 2/20 0.49
NCOR2 Q9Y618 2/20 0.49

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
SCHEMBL11669167 0.89 ALDH1A1 (0.71) ALDH1A1KDM4EGAAATMHTT
SCHEMBL16974161 0.86 ALDH1A1 (0.72) ALDH1A1KDM4EGAAATMHTT
SCHEMBL30758183 0.83 L3MBTL1 (0.72) ALDH1A1KDM4EGAAATMHTT
SCHEMBL5809940 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EGAAATMRXFP1
SCHEMBL5810083 0.81 ATM (0.79) ALDH1A1KDM4EGAAATMRXFP1
SCHEMBL13210156 0.81 GAA (0.59) ALDH1A1KDM4EGAAATMNPC1
SCHEMBL30251658 0.81 GAA (0.59) ALDH1A1KDM4EGAAATMNPC1
SCHEMBL13392288 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EGAAATMHTT
SCHEMBL24619141 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EGAAATMHTT
SCHEMBL13209744 0.78 L3MBTL1 (0.69) ALDH1A1KDM4EGAAHTTNPC1

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-2022149057-A1 CDK INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-07-14 WO disclosed