SCHEMBL6768294

SCHEMBL6768294

CCCS(=O)(=O)c1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRB2 P07550 3/20 0.37
ADRB1 P08588 2/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
ADRB3 P13945 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP14 Q460N5 1/20 0.36
BRAF P15056 5/20 0.36
DRD2 P14416 2/20 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
SCHEMBL6767711 0.89 ADRB2 (0.39) ADRA2CADRA1DADRA1AADRA1BADRB2
SCHEMBL6763713 0.78 PTGS1 (0.39) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL6772769 0.76 GRIN2D (0.37) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL6766881 0.75 CA2 (0.40) MEN1ALOX15KMT2AKDM4EALDH1A1
SCHEMBL6766418 0.74 BRAF (0.42) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL6766609 0.74 ALDH1A1 (0.45) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL6766305 0.71 GRIN2D (0.38) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL5379137 0.71 DAO (0.46) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL5388796 0.70 DAO (0.50) ADRB2ADRB1MEN1ALOX15KMT2A
SCHEMBL6773618 0.70 GRIN2D (0.40) ADRB2ADRB1MEN1ALOX15KMT2A

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
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed