SCHEMBL25920056

SCHEMBL25920056

CCC(C(=O)O)N1Cc2ccc(-c3ccnc4ccccc34)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 6/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CAMKK1 Q8N5S9 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
SDCBP O00560 2/20 0.43
SDC2 P34741 2/20 0.43
STAT3 P40763 1/20 0.42
MAPK1 P28482 3/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL25920054 0.91 NPC1 (0.45) ACVR1MAPTSMN1; SMN2CREBBPCAMKK1
SCHEMBL25331038 0.84 MAPK1 (0.42) ACVR1CREBBPSDCBPSDC2MAPK1
SCHEMBL30477291 0.84 MAPK1 (0.42) ACVR1CREBBPSDCBPSDC2MAPK1
SCHEMBL25918414 0.83 ALOX15 (0.50) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL25920061 0.82 MAPK1 (0.40) CREBBPSDCBPSDC2MAPK1EGFR
SCHEMBL25918382 0.81 SDCBP (0.55) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL25920004 0.81 MET (0.49) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL25919934 0.80 CYP11B1 (0.49) ALOX15MAPTSMN1; SMN2CREBBPKDM4E
SCHEMBL25920245 0.79 ALOX15 (0.43) ALOX15MAPTSMN1; SMN2KDM4ESDCBP
SCHEMBL25919570 0.79 ALOX15 (0.45) ALOX15MAPTSMN1; SMN2KDM4ESDCBP

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-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed