SCHEMBL24865699

SCHEMBL24865699

CC1CCN(c2ccc(Nc3ccc4c(c3)nnn4C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 5/20 0.41
RXFP1 Q9HBX9 1/20 0.40
BRD4 O60885 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL24865384 0.90 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL24865640 0.86 ALDH1A1 (0.40) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL24865442 0.82 MAPT (0.46) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL24865211 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHPGDRAB9ANPC1
SCHEMBL31123358 0.77 FLT3 (0.44) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL24865542 0.77 FLT3 (0.44) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL24865398 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHPGDRAB9ANPC1
SCHEMBL24865084 0.76 ALDH1A1 (0.46) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL24865209 0.75 SMN1; SMN2 (0.46) ALDH1A1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL24865638 0.75 SMN1; SMN2 (0.43) ALDH1A1LMNARAB9ANPC1SMN1; SMN2

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