SCHEMBL30833432

SCHEMBL30833432

CC(F)(C1CCCCN1C(=O)Nc1ccnnc1)S(=O)(=O)c1ccc(OC(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
RORC P51449 2/20 0.36
FPR2 P25090 3/20 0.34
FPR1 P21462 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
WNT3 P56703 1/20 0.33
SFRP1 Q8N474 1/20 0.33
LHCGR P22888 1/20 0.32
PRKAA2 P54646 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL30833430 0.91 LMNA (0.39) EPHX2RORCLMNAMEN1KMT2A
SCHEMBL17942348 0.85 CA12 (0.37) EPHX2RORCFPR2FPR1PRKAA2
SCHEMBL30833479 0.85 CA12 (0.37) EPHX2RORCFPR2FPR1PRKAA2
SCHEMBL30833412 0.81 GPR119 (0.42) MEN1KMT2AWNT3SFRP1PIK3CD
Trifluoroacetic Acid SCHEMBL30833404 0.77 RORC (0.40) EPHX2RORCLMNAMEN1KMT2A
SCHEMBL30833456 0.77 RORC (0.35) EPHX2RORCLMNAWNT3SFRP1
SCHEMBL17942345 0.75 CA12 (0.38) EPHX2RORCFPR2FPR1LMNA
SCHEMBL30833427 0.75 RORC (0.36) EPHX2RORCLMNAWNT3SFRP1
SCHEMBL30833471 0.74 RORC (0.36) EPHX2RORCLMNAKMT2AWNT3
SCHEMBL30833383 0.73 MEN1 (0.42) EPHX2RORCLMNAMEN1KMT2A

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