SCHEMBL30452669

SCHEMBL30452669

Cc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
SYK P43405 3/20 0.41
DHODH Q02127 2/20 0.39
PPARD Q03181 3/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTPN1 P18031 1/20 0.37
MAP4K4 O95819 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL24257512 1.00 MRGPRX4 (0.46) MRGPRX4SYKDHODHPPARDRXRA
SCHEMBL30546847 0.89 SYK (0.42) MRGPRX4SYKDHODHPPARDPDE10A
SCHEMBL24257759 0.85 KDM4E (0.42) DHODHPTPN1MAP4K4PTGER1
SCHEMBL30546849 0.85 KMT2A (0.41) MRGPRX4
SCHEMBL24257580 0.85 KMT2A (0.41) MRGPRX4
SCHEMBL24257740 0.82 PDE10A (0.39) MRGPRX4SYKPPARDPDE10A
SCHEMBL30452657 0.82 PDE10A (0.39) MRGPRX4SYKPPARDPDE10A
SCHEMBL24257669 0.81 C5AR1 (0.43) MRGPRX4DHODHPPARDPTGER1
SCHEMBL30453291 0.81 C5AR1 (0.43) MRGPRX4DHODHPPARDPTGER1
SCHEMBL24257621 0.80 MCL1 (0.44) MRGPRX4DHODH

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-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed