SCHEMBL9427465

SCHEMBL9427465

COCc1nc(C)c(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL30174197 0.77 P2RX3 (0.40) P2RX3MEN1KMT2AHCAR2
SCHEMBL25529033 0.77 P2RX3 (0.40) P2RX3MEN1KMT2AHCAR2
SCHEMBL72281 0.76 PDE10A (0.45) MEN1KMT2AADORA3PDE10AKDM4E
SCHEMBL4173266 0.72 KMT2A (0.54) MEN1KMT2AADORA3PDE10AKDM4E
SCHEMBL25210352 0.71 MAPK1 (0.45) P2RX3MEN1KMT2AHCAR2KDM4E
SCHEMBL30063260 0.71 MAPK1 (0.45) P2RX3MEN1KMT2AHCAR2KDM4E
SCHEMBL6730304 0.70 PTPN1 (0.37) P2RX3ADORA3HCAR2DPP4DPP8
SCHEMBL2130302 0.70 ALDH1A1 (0.51) MEN1KMT2AHCAR2KDM4E
SCHEMBL30843807 0.69 ALDH1A1 (0.35) P2RX3MEN1KMT2AHCAR2PDE10A
SCHEMBL27918574 0.69 KDM4E (0.35) MEN1KMT2AKDM4EL3MBTL1

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-5336774-A 1,4-dihydropyridine 3,5 carboxyl compounds ACHIWA KAZUO (JP) 1994-08-09 US disclosed