SCHEMBL30833430

SCHEMBL30833430

COc1ccc(S(=O)(=O)C(C)(F)C2CCCCN2C(=O)Nc2ccnnc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
RORC P51449 2/20 0.38
AR P10275 1/20 0.36
NAMPT P43490 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LHCGR P22888 1/20 0.33

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
SCHEMBL30833432 0.91 EPHX2 (0.37) LMNAEPHX2ALDH1A1RORCMEN1
SCHEMBL17942345 0.84 CA12 (0.38) LMNAEPHX2ALDH1A1KDM4ERORC
SCHEMBL30833514 0.81 GPR119 (0.44) ALDH1A1KDM4EMEN1KMT2AWNT3
Trifluoroacetic Acid SCHEMBL30833404 0.79 RORC (0.40) LMNAEPHX2ALDH1A1RORCMEN1
SCHEMBL30833427 0.77 RORC (0.36) LMNAEPHX2ALDH1A1RORCWNT3
SCHEMBL30833456 0.75 RORC (0.35) LMNAEPHX2ALDH1A1RORCWNT3
SCHEMBL17942348 0.75 CA12 (0.37) EPHX2RORCNAMPT
SCHEMBL30833479 0.75 CA12 (0.37) EPHX2RORCNAMPT
SCHEMBL30833383 0.75 MEN1 (0.42) LMNAEPHX2ALDH1A1RORCMEN1
SCHEMBL19996432 0.73 CA12 (0.40) LMNAEPHX2RORCNAMPTSMN1; SMN2

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