SCHEMBL30833453

SCHEMBL30833453

Cn1cc(S(=O)(=O)C(C)(C)C2CCCCN2C(=O)OC(C)(C)C)c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.36
UCHL1 P09936 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STS P08842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL30833382 0.93 SFRP1 (0.38) WNT3SFRP1NR1H2NR1H3MEN1
SCHEMBL30833474 0.82 KDM1A (0.39) WNT3SFRP1MEN1KMT2AALDH1A1
SCHEMBL17948997 0.81 STS (0.44) SFRP1MEN1KMT2AMAPTSTS
SCHEMBL30833454 0.81 KMT2A (0.40) WNT3SFRP1NR1H2NR1H3HSD11B1
SCHEMBL30833493 0.79 MEN1 (0.38) WNT3SFRP1NR1H2NR1H3MEN1
SCHEMBL17949425 0.77 STS (0.46) SFRP1MEN1KMT2AMAPTSTS
SCHEMBL17942546 0.74 TGFBR1 (0.44) STS
SCHEMBL17942437 0.74 CYP3A4 (0.39) KMT2ARORCLMNAGRIA2
SCHEMBL30833506 0.74 SFRP1 (0.39) WNT3SFRP1NR1H2NR1H3MEN1
SCHEMBL30833484 0.74 PDE8B (0.39) MEN1KMT2AMAPTNPSR1ALDH1A1

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