SCHEMBL30908946

SCHEMBL30908946

CCC(CC)N1CC=C(c2c[nH]c3ccc(NC(=O)c4ccccc4Cl)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL7477358 1.00 MAPT (0.51) MAPTLMNANOS3NOS1TP53
SCHEMBL7487596 0.92 MAPT (0.51) MAPTLMNANOS3NOS1TP53
SCHEMBL7481114 0.91 LMNA (0.56) MAPTLMNANOS3NOS1TP53
SCHEMBL7480553 0.89 MAPT (0.49) MAPTLMNANOS3NOS1TP53
SCHEMBL30908919 0.89 MAPT (0.49) MAPTLMNANOS3NOS1TP53
SCHEMBL7479602 0.88 LMNA (0.57) MAPTLMNANOS3NOS1TP53
SCHEMBL7477371 0.88 NOS3 (0.63) MAPTLMNANOS3NOS1TP53
SCHEMBL7484079 0.86 NOS3 (0.53) MAPTLMNANOS3NOS1TP53
SCHEMBL7481112 0.86 MAPT (0.49) MAPTLMNANOS3NOS1TP53
SCHEMBL30908772 0.86 MAPT (0.49) MAPTLMNANOS3NOS1TP53

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