SCHEMBL30908846

SCHEMBL30908846

CCCCNc1sc2ccc(C(=O)c3cccs3)cc2c1C1CCC2CCCCN2CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
FLT3 P36888 3/20 0.34
TYRO3 Q06418 3/20 0.34
MERTK Q12866 3/20 0.34
GAS6 Q14393 3/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HTT P42858 1/20 0.32
PDE7A Q13946 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL8723641 1.00 HDAC3 (0.34) HDAC3FLT3TYRO3MERTKGAS6
SCHEMBL8721040 0.84 SIGMAR1 (0.35) ALDH1A1KDM4EACACBACACA
SCHEMBL30909219 0.84 SIGMAR1 (0.35) ALDH1A1KDM4EACACBACACA
SCHEMBL8723725 0.79 OPRL1 (0.32) HRH3PDE7AACACBACACA
SCHEMBL30909193 0.75 CYP2D6 (0.38) ACACBACACA
SCHEMBL8722116 0.68 HRH3 (0.43) LMNAMAPTHRH3
SCHEMBL8706296 0.67 HPGD (0.37) ALDH1A1LMNAMAPTRAB9AKDM4E
SCHEMBL8720762 0.67 HRH3 (0.42) ALDH1A1LMNAMAPTKCNH2SMN1; SMN2
SCHEMBL8723636 0.67 RAB9A (0.39) ALDH1A1LMNARAB9AKDM4ESMN1; SMN2
SCHEMBL8721795 0.64 KMT2A (0.46) ALDH1A1LMNAMAPTRAB9ASMN1; 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-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