SCHEMBL622904

SCHEMBL622904

CCc1ccc(CC=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 2/20 0.36
CYP3A4 P08684 1/20 0.36
RXRA P19793 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL16798756 0.81 HRH3 (0.46) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL16935002 0.79 HRH3 (0.41) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL30398570 0.79 HRH3 (0.55) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL487617 0.79 HRH3 (0.55) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL27779104 0.78 HRH3 (0.50) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL4033509 0.76 CCR1 (0.43) KDM4ERAB9ACYP3A4MAPTHPGD
SCHEMBL30361378 0.76 CCR1 (0.43) KDM4ERAB9ACYP3A4MAPTHPGD
Hydrochloric Acid SCHEMBL247415 0.74 CCR1 (0.41) KDM4ERAB9ACYP3A4MAPTHPGD
SCHEMBL3631781 0.74 HRH3 (0.56) HRH3CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL6851001 0.74 RAB9A (0.44) KDM4EL3MBTL1SMN1; SMN2NPC1RAB9A

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 9 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2603507-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS Metabolic Solutions Development Company LLC (US) 2013-06-19 EP disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012021467-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-02-16 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed