SCHEMBL30909040

SCHEMBL30909040

O=C(Nc1ccc2occ(C3=CCN4CCCCC4CC3)c2c1)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 9/20 0.43
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HPGD P15428 4/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL8721209 1.00 MAPT (0.46) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL8386469 0.90 NPC1 (0.45) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL30908982 0.90 NPC1 (0.45) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL30908915 0.86 RAB9A (0.38) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL8723998 0.86 RAB9A (0.38) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL8720781 0.85 MAPT (0.45) MAPTKDM4EHSD17B10CASP1CASP7
SCHEMBL8387333 0.80 TP53 (0.41) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL8723969 0.79 MTNR1A (0.34) POLB
SCHEMBL8721072 0.79 MTNR1A (0.34) ALDH1A1TP53MAPK1POLBMEN1
SCHEMBL30909058 0.79 MTNR1A (0.34) POLB

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-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed