SCHEMBL24920537

SCHEMBL24920537

COCc1ccnc(NCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
EIF2AK2 P19525 3/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
VSIR Q9H7M9 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL12499912 0.78 RXRA (0.35) FLT3MAPK9
SCHEMBL16815659 0.78 MKNK1 (0.48) EIF2AK2MKNK1MKNK2ALDH1A1KDM4E
SCHEMBL1231970 0.76 KMT2A (0.49) EIF2AK2MKNK1MKNK2KMT2ARECQL
SCHEMBL2884302 0.75 MAPK9 (0.44) TNFEIF2AK2MKNK1MKNK2MEN1
SCHEMBL10225045 0.75 MAPK1 (0.59) TNFEIF2AK2MKNK1MKNK2MEN1
SCHEMBL18615429 0.73 MKNK1 (0.48) TNFEIF2AK2MKNK1MKNK2MEN1
SCHEMBL24921019 0.72 MAPK1 (0.46) MAPK1KMT2AALDH1A1HPGDKDM4E
SCHEMBL11306815 0.71 MKNK1 (0.50) EIF2AK2MKNK1MKNK2MEN1GAA
SCHEMBL84065 0.71 MAPK9 (0.48) TNFEIF2AK2MKNK1MKNK2MEN1
SCHEMBL24921051 0.71 EGFR (0.41)

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed