SCHEMBL24865727

SCHEMBL24865727

CCC(C)(C)c1ccc(Nc2ccc(NC)c(N(C)N=O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24865623 0.73 KDM1A (0.39) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL292857 0.72 RAB9A (0.47) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL24865688 0.70 EGFR (0.47) MAPK1SMN1; SMN2NPC1RAB9AATM
SCHEMBL24865791 0.69 HRH3 (0.35) SMN1; SMN2
SCHEMBL25888283 0.67 NPC1 (0.43) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL25007291 0.67 KIF11 (0.47) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL24865601 0.66 MEN1 (0.31) LMNAMEN1ALDH1A1KMT2A
SCHEMBL9473731 0.66 ALDH1A1 (0.52) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL23894646 0.66 MAPT (0.44) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL24865708 0.65 MEN1 (0.33) MAPK1SMN1; SMN2LMNAMEN1ALDH1A1

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed