SCHEMBL31414538

SCHEMBL31414538

CNC(=O)c1cc2c(C3=CCC(C(=O)O)CC3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.45
CCNT1 O60563 9/20 0.45
GRIN2D O15399 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL31414559 0.86 CDK9 (0.45) CDK9CCNT1GRIN2DGRIN1GRIN2A
SCHEMBL31414579 0.74 PDK2 (0.43)
SCHEMBL2522495 0.71 CDK9 (0.47) CDK9CCNT1
SCHEMBL2522501 0.71 CDK9 (0.47) CDK9CCNT1
SCHEMBL31414535 0.70 CNR1 (0.54) CDK9CCNT1
SCHEMBL31414484 0.70 NUDT1 (0.45) GRIN2DGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL31414534 0.70 HRH4 (0.56)
SCHEMBL9703865 0.69 SLC6A4 (0.60)
SCHEMBL30147598 0.68 FLT3 (0.55)
SCHEMBL18866894 0.67 CDK9 (0.50) CDK9CCNT1

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