SCHEMBL25920004

SCHEMBL25920004

CCC(C(=O)O)N1Cc2ccc(-c3ccc4ncccc4c3)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
ADAM17 P78536 1/20 0.43
SDCBP O00560 1/20 0.43
SDC2 P34741 1/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
EGFR P00533 2/20 0.41
CHRM1 P11229 4/20 0.40
MAPK1 P28482 2/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL25920003 0.90 MET (0.47) METADAM17SDCBPSDC2MCL1
SCHEMBL30477317 0.83 MET (0.42) METADAM17SDCBPSDC2EGFR
SCHEMBL25332196 0.83 MET (0.42) METADAM17SDCBPSDC2EGFR
SCHEMBL25918382 0.82 SDCBP (0.55) SDCBPSDC2ALOX15SMN1; SMN2MAPT
SCHEMBL25918495 0.82 MAP3K5 (0.47) SDCBPSDC2ALOX15SMN1; SMN2MAPT
SCHEMBL25920008 0.82 SDCBP (0.40) METAKR1C3AKR1C2ADAM17SDCBP
SCHEMBL25920056 0.81 ACVR1 (0.44) SDCBPSDC2ALOX15SMN1; SMN2MAPT
SCHEMBL25920245 0.78 ALOX15 (0.43) SDCBPSDC2ALOX15SMN1; SMN2MAPT
SCHEMBL25918414 0.78 ALOX15 (0.50) SDCBPSDC2MCL1ALOX15SMN1; SMN2
SCHEMBL25920286 0.77 NTSR1 (0.45) SDCBPSDC2ALOX15SMN1; SMN2MAPT

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