SCHEMBL30908992

SCHEMBL30908992

CCCCOc1cccc(C(=O)Nc2ccc3occ(C4CCN5CCCC5C4)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ADRB2 P07550 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
NR1H4 Q96RI1 4/20 0.47
DGAT1 O75907 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 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
SCHEMBL8381707 1.00 MEN1 (0.47) MEN1KMT2AADRB2THRBMAPT
SCHEMBL8386687 0.87 ACHE (0.39)
SCHEMBL30908827 0.87 ACHE (0.39)
SCHEMBL8387124 0.86 TDP1 (0.38) MAPTTDP1L3MBTL1
SCHEMBL8387441 0.84 RORC (0.51)
SCHEMBL8385565 0.84 HTR2A (0.44) KMT2AMAPTTDP1
SCHEMBL30908902 0.84 HTR2A (0.44) KMT2AMAPTTDP1
SCHEMBL30909094 0.83 KMT2A (0.40) MEN1KMT2AADRB2THRBMAPT
SCHEMBL8385411 0.83 KMT2A (0.40) MEN1KMT2AADRB2THRBMAPT
SCHEMBL30909276 0.81 RAB9A (0.42) MEN1KMT2AMAPTNPC1RAB9A

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