SCHEMBL31465686

SCHEMBL31465686

CC(=O)C(=O)Nc1c(C)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 7/20 0.46
ABCC9 O60706 4/20 0.46
ABCC8 Q09428 4/20 0.46
KCNJ8 Q15842 4/20 0.46
S1PR4 O95977 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HKDC1 Q2TB90 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL18415509 0.91 TSHR (0.48) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL13588237 0.87 ALDH1A1 (0.46) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL30640474 0.86 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL20194455 0.86 KCNJ11 (0.59) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL24538117 0.85 KDM4E (0.45) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL31465695 0.84 S1PR4 (0.42) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL31465690 0.84 S1PR4 (0.42) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL6374171 0.84 TSHR (0.48) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL18415498 0.84 S1PR4 (0.46) KCNJ11ABCC9ABCC8KCNJ8S1PR4
SCHEMBL1954044 0.81 GAA (0.56) KCNJ11ABCC9ABCC8KCNJ8S1PR4

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
WO-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 WO disclosed