SCHEMBL24865609

SCHEMBL24865609

CNc1ccc(Nc2ccc(N3CCCC3)cc2)cc1NC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
ALOX15 P16050 1/20 0.51
NR4A1 P22736 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CD274 Q9NZQ7 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PABPC1 P11940 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL24865767 0.83 SYK (0.38) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL14431554 0.78 CYP1A2 (0.58) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL24865085 0.78 SMN1; SMN2 (0.43) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL24865762 0.77 NPC1 (0.33) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL2174874 0.77 MAPT (0.58) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL1916616 0.75 CYP1A2 (0.59) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL7343928 0.73 MAPT (0.56) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL30885108 0.73 LMNA (0.59) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL17361558 0.73 MAPT (0.53) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL11726654 0.72 NPC1 (0.58) MAPTALDH1A1KMT2AGAAKDM4E

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