SCHEMBL30833458

SCHEMBL30833458

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
CNR2 P34972 2/20 0.35
CHRM3 P20309 1/20 0.35
FAAH O00519 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 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
SCHEMBL30833515 0.92 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL17942475 0.84 FAAH (0.39) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL30833478 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL17942486 0.79 L3MBTL1 (0.37) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL18025956 0.73 ALDH1A1 (0.38) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL17942530 0.71 PIK3C3 (0.39) ALDH1A1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL17949145 0.71 L3MBTL1 (0.36) ALDH1A1KMT2AHPGDMEN1HTT
SCHEMBL25573724 0.69 FAAH (0.37) HPGDSMN1; SMN2CNR2FAAHLMNA
SCHEMBL18025946 0.69 CNR2 (0.37) ALDH1A1KMT2AHPGDMEN1CNR2
SCHEMBL17942439 0.68 PIK3C3 (0.37) ALDH1A1KMT2AHPGDMEN1CNR2

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