SCHEMBL24865660

SCHEMBL24865660

CNc1cc(Nc2cc(Cl)c(N3CCC(C)CC3)cc2C)ccc1N(C)N=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 4/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
XBP1 P17861 1/20 0.30
ATM Q13315 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
SCHEMBL24865467 0.82 ALDH1A1 (0.33) ALDH1A1HTTMAPTHPGDMEN1
SCHEMBL24865637 0.82 ALDH1A1 (0.33) ALDH1A1HTTMAPTHPGDMEN1
SCHEMBL24865225 0.73 MAPT (0.44) ALDH1A1HTTMAPTLMNA
SCHEMBL30336545 0.73 MAPT (0.44) ALDH1A1HTTMAPTLMNA
SCHEMBL24865658 0.72 SYK (0.34) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL24865300 0.69 CNR2 (0.34) MAPT
SCHEMBL24865643 0.65 PDGFRB (0.37) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL24865708 0.64 MEN1 (0.33) ALDH1A1MAPTLMNATDP1HPGD
SCHEMBL31053539 0.64 EPHX2 (0.39) MAPTLMNAHPGDKMT2A
SCHEMBL14217256 0.64 ALDH1A1 (0.57) ALDH1A1HTTMAPTLMNAHPGD

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