SCHEMBL1556901

SCHEMBL1556901

COc1cc[c]c(Br)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CA12 O43570 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
SCHEMBL2350414 0.78 CA12 (0.35) HTR2AHTR2CHTR2BKDM4ES1PR4
SCHEMBL28446954 0.78 CA12 (0.35) MAPTNPSR1CA12CA1CA2
SCHEMBL7263826 0.77 KDM4E (0.33) HTR2AHTR2CHTR2BKDM4ES1PR4
SCHEMBL945659 0.77 CA2 (0.35) KDM4EMAPTMAPK1CA12CA1
SCHEMBL28582611 0.77 CA12 (0.33) KDM4EMAPTCA12CA1CA2
SCHEMBL2348098 0.75 HTR2A (0.33) HTR2AHTR2CHTR2BKDM4ES1PR4
SCHEMBL22833910 0.75 MAPT (0.43) KDM4EMAPTMAPK1RAB9AMCL1
SCHEMBL28567295 0.75 TP53 (0.35) HTR2AHTR2CHTR2BKDM4ES1PR4
SCHEMBL6988996 0.75 CA12 (0.32) HTR2AHTR2CCA12CA1CA2
SCHEMBL27218671 0.75 GAA (0.36) HTR2AHTR2CHTR2BKDM4ES1PR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
EP-2303863-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-04-06 EP disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed