SCHEMBL24864844

SCHEMBL24864844

CC1CN(c2ccc(Nc3ccc4c(c3)ncn4C)cc2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 4/20 0.44
GAK O14976 2/20 0.43
KDM4E B2RXH2 3/20 0.42
SHMT2 P34897 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
SYK P43405 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GFER P55789 1/20 0.41
TP53 P04637 3/20 0.41
LRRK2 Q5S007 2/20 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
SCHEMBL30336715 1.00 MAPT (0.46) MAPTALDH1A1GAAGAKKDM4E
SCHEMBL24865714 0.88 GAA (0.43) MAPTALDH1A1GAAKDM4ESHMT2
SCHEMBL30336404 0.82 ALDH1A1 (0.46) MAPTALDH1A1GAAKDM4ESHMT2
SCHEMBL24865211 0.82 ALDH1A1 (0.46) MAPTALDH1A1GAAKDM4ESHMT2
SCHEMBL24865442 0.81 MAPT (0.46) MAPTALDH1A1GAKKDM4ENPC1
SCHEMBL30336346 0.81 MAPT (0.46) MAPTALDH1A1GAKKDM4ENPC1
SCHEMBL24864879 0.79 GAA (0.43) MAPTALDH1A1GAAKDM4ESHMT2
SCHEMBL24865711 0.79 MAPT (0.44) MAPTGAKSYKLRRK2
SCHEMBL24865662 0.76 MAPT (0.46) MAPTSYKLRRK2
SCHEMBL24865010 0.76 MAPT (0.46) MAPTGAKRAB9ASYKLRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed