SCHEMBL31133151

SCHEMBL31133151

NNc1ncc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
PPIA P62937 3/20 0.49
XDH P47989 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GCK P35557 2/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
PTGER1 P34995 1/20 0.45
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45

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
SCHEMBL31132542 1.00 MAP4K4 (0.52) MAP4K4PPIAXDHMEN1KMT2A
SCHEMBL488339 0.82 MAP4K4 (0.74) MAP4K4XDHMEN1KMT2ANR4A2
SCHEMBL8881727 0.80 MEN1 (0.54) MAP4K4XDHMEN1KMT2AGCK
SCHEMBL14333332 0.79 PPIA (0.48) MAP4K4PPIAXDHMEN1KMT2A
SCHEMBL31133124 0.79 HPGD (0.55) MAP4K4XDHMEN1KMT2ANR4A2
SCHEMBL31132733 0.79 HPGD (0.55) MAP4K4XDHMEN1KMT2ANR4A2
SCHEMBL22502280 0.77 RXRA (0.56) MAP4K4XDHMEN1KMT2APTGER1
SCHEMBL3517697 0.76 MEN1 (0.46) MAP4K4PPIAXDHMEN1KMT2A
SCHEMBL30892460 0.75 KMT2A (0.51) MAP4K4XDHMEN1KMT2ANR4A2
SCHEMBL1600077 0.73 MRGPRX4 (0.62) MEN1KMT2ANR4A2NR4A1NR4A3

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
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed