SCHEMBL8720635

SCHEMBL8720635

O=C(Nc1ccc2scc(C3=CCN4CCCCC4CC3)c2c1)c1ccc(I)cc1I

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
WDR5 P61964 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8706037 0.85 ALDH1A1 (0.42) TDP1CYP3A4CYP2D6CYP2C19TP53
SCHEMBL8720711 0.84 TP53 (0.44) TDP1TP53MAPT
SCHEMBL8721276 0.84 AVPR1A (0.44) TP53MAPTL3MBTL1
SCHEMBL8725934 0.83 OPRM1 (0.36) HRH3TDP1TP53MAPT
SCHEMBL30909146 0.83 OPRM1 (0.36) HRH3TDP1TP53MAPT
SCHEMBL8724021 0.83 HTR1F (0.40) HRH3TP53MAPT
SCHEMBL8721911 0.83 KMT2A (0.43) HRH3TDP1TP53MAPT
SCHEMBL8720679 0.83 MAPK14 (0.38) HRH3TDP1TP53MAPTL3MBTL3
SCHEMBL8724051 0.82 AKR1C3 (0.38) HRH3CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL8720781 0.81 MAPT (0.45) TP53MAPT

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 2 patents. 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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed