SCHEMBL30909020

SCHEMBL30909020

CCCCCCN1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
LMNA P02545 2/20 0.74
ALOX15 P16050 2/20 0.74
DRD2 P14416 7/20 0.73
SIGMAR1 Q99720 1/20 0.69
HTR1A P08908 4/20 0.64
HTR2A P28223 1/20 0.64
HTT P42858 1/20 0.64
POLB P06746 1/20 0.64
SLC6A4 P31645 1/20 0.64
HTR6 P50406 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL30909227 0.99 KDM4E (0.76) KDM4ELMNAALOX15DRD2SIGMAR1
SCHEMBL11325290 0.99 KDM4E (0.76) KDM4ELMNAALOX15DRD2SIGMAR1
Hydrochloric Acid SCHEMBL11315781 0.99 KDM4E (0.76) KDM4ELMNAALOX15DRD2SIGMAR1
Hydrogen Sulfide SCHEMBL27496556 0.94 KDM4E (0.76) KDM4ELMNAALOX15DRD2SIGMAR1
Hydrochloric Acid SCHEMBL11313113 0.90 KDM4E (0.81) KDM4ELMNAALOX15DRD2SIGMAR1
SCHEMBL11315106 0.90 KDM4E (0.81) KDM4ELMNAALOX15DRD2SIGMAR1
SCHEMBL14640613 0.86 KDM4E (0.67) KDM4ELMNAALOX15DRD2SIGMAR1
SCHEMBL4491839 0.86 KDM4E (0.70) KDM4ELMNAALOX15DRD2SIGMAR1
Hydrochloric Acid SCHEMBL11325899 0.85 KDM4E (1.00) KDM4ELMNAALOX15DRD2SIGMAR1
SCHEMBL11321052 0.85 KDM4E (1.00) KDM4ELMNAALOX15DRD2SIGMAR1

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