SCHEMBL30833383

SCHEMBL30833383

CC(C)(C1CCCCN1C(=O)Nc1ccnnc1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
RORC P51449 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.39
WNT3 P56703 1/20 0.39
SFRP1 Q8N474 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
RIPK1 Q13546 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
POLB P06746 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
SCHEMBL30833449 0.92 RORC (0.42) MEN1KMT2ATSHRRORCALDH1A1
Trifluoroacetic Acid SCHEMBL30833404 0.91 RORC (0.40) MEN1KMT2ATSHRRORCALDH1A1
SCHEMBL17942446 0.83 TSHR (0.52) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL30833387 0.82 ABCC9 (0.41) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL17949198 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL17949199 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL17949166 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL30833428 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL29529870 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2
SCHEMBL29529953 0.80 TSHR (0.48) KMT2ATSHRRORCALDH1A1USP2

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
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 CN disclosed