SCHEMBL31414484

SCHEMBL31414484

CNC(=O)c1cc2c(-c3ccc(C(=O)O)cc3)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C8 P10632 1/20 0.41
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RCE1 Q9Y256 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CHEK2 O96017 1/20 0.38

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
SCHEMBL20257060 0.85 MAP2K4 (0.40) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL31414547 0.83 GABRA1 (0.42) NUDT1GRIN2DGRIN1GRIN2AGRIN2B
SCHEMBL31414560 0.83 TNKS2 (0.43) NUDT1GRIN2DGRIN1GRIN2AGRIN2B
SCHEMBL31414582 0.83 PARP1 (0.46) NUDT1GRIN2DGRIN1GRIN2AGRIN2B
SCHEMBL15131384 0.82 RXRA (0.42) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL31414594 0.79 HRH3 (0.57) ALOX15MEN1KMT2ANPC1POLB
SCHEMBL2761945 0.77 KDM4E (0.49) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL31414494 0.76 MLYCD (0.55) MEN1KMT2ARAB9A
SCHEMBL2001667 0.76 KDM4E (0.58) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL30147598 0.75 FLT3 (0.55) NUDT1ALOX15MEN1KMT2ARCE1

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-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed