SCHEMBL30833478

SCHEMBL30833478

Cn1cc(S(=O)(=O)C(C)(F)C2CCCCN2C(=O)Nc2ccon2)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
HTT P42858 2/20 0.35
RORC P51449 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35

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
SCHEMBL30833515 0.90 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1HPGDPIK3C3
SCHEMBL17942439 0.83 PIK3C3 (0.37) ALDH1A1KMT2AMEN1HPGDPIK3C3
SCHEMBL30833458 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL17942530 0.80 PIK3C3 (0.39) ALDH1A1KMT2APIK3C3HTTRORC
SCHEMBL30833382 0.77 SFRP1 (0.38) KMT2AMEN1RORC
SCHEMBL18025946 0.74 CNR2 (0.37) ALDH1A1KMT2AMEN1HPGD
SCHEMBL17942486 0.73 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1HPGDPIK3C3
Danicamtiv SCHEMBL17942408 0.72 L3MBTL1 (0.36) ALDH1A1KMT2AMEN1HPGDHTT
Danicamtiv SCHEMBL17942536 0.72 L3MBTL1 (0.36) ALDH1A1KMT2AMEN1HPGDHTT
Danicamtiv SCHEMBL17942407 0.72 L3MBTL1 (0.36) ALDH1A1KMT2AMEN1HPGDHTT

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