SCHEMBL23255226

SCHEMBL23255226

C=CCn1c(CC)nc2c1c(=O)[nH]c(=O)n2CCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 9/20 0.49
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL835360 0.86 TSHR (0.52) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL837428 0.83 MEN1 (0.55) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL3121131 0.82 MEN1 (0.54) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL837415 0.79 TSHR (0.49) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL3223903 0.78 PDE4A (0.55) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL8668035 0.78 PNP (0.53) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL19066322 0.76 RXFP1 (0.59) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL19066314 0.76 MEN1 (0.65) TSHRMEN1KMT2AHSD17B10MAPK1
SCHEMBL836619 0.76 MEN1 (0.77) MEN1KMT2AALDH1A1POLBBRD4
SCHEMBL9853392 0.75 MEN1 (0.53) TSHRMEN1KMT2AHSD17B10MAPK1

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
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed