SCHEMBL29957061

SCHEMBL29957061

Cc1ccc(-c2ccccc2B(O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.47
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 2/20 0.37
APP P05067 1/20 0.36
PTGS2 P35354 2/20 0.36
MAPT P10636 1/20 0.36
ENPP2 Q13822 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PTGS1 P23219 1/20 0.35
TLR8 Q9NR97 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL1853561 0.78 CA2 (0.44) NPC1MEN1KMT2AMAPTENPP2
SCHEMBL5038826 0.77 CES2 (0.48) NPC1MEN1KMT2AMAPTCES2
SCHEMBL9419202 0.77 HTR7 (0.50) HTR7NPC1MCL1
SCHEMBL29410296 0.77 GSTP1 (0.52)
SCHEMBL3686032 0.77 GSTP1 (0.52)
SCHEMBL19997905 0.77 APP (0.36) MCL1APPMAPTENPP2TLR8
SCHEMBL2932780 0.77 CNR2 (0.44) NPC1KMT2AMAPT
SCHEMBL29956783 0.77 CNR2 (0.44) NPC1KMT2AMAPT
SCHEMBL5987885 0.77 MCL1 (0.47) HTR7MCL1CREBBP
SCHEMBL14508378 0.76 CA2 (0.43) NPC1MEN1KMT2AMAPTENPP2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed