SCHEMBL30833388

SCHEMBL30833388

CC(F)(C1CCCCN1C(=O)Nc1ccno1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
KCNQ1 P51787 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
SCD5 Q86SK9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
GRM5 P41594 3/20 0.34
EPHX2 P34913 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
CACNA1B Q00975 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
SCHEMBL30833450 0.83 CYP3A4 (0.45) ABCC9ABCC8KCNJ11KCNJ8USP2
SCHEMBL17942403 0.83 CYP3A4 (0.45) ABCC9ABCC8KCNJ11KCNJ8USP2
SCHEMBL30833424 0.82 EGFR (0.39) RIPK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30833387 0.81 ABCC9 (0.41) RIPK1KCNQ1ABCC9ABCC8KCNJ11
SCHEMBL30833438 0.81 NPSR1 (0.39) RIPK1KCNQ1ABCC9ABCC8KCNJ11
Trifluoroacetic Acid SCHEMBL30833404 0.81 RORC (0.40) RIPK1KCNQ1ABCC9ABCC8KCNJ11
SCHEMBL30833386 0.78 RIPK1 (0.45) RIPK1MEN1KMT2APOLB
SCHEMBL30833383 0.77 MEN1 (0.42) RIPK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL17942547 0.75 RORC (0.42) RIPK1NR1I2CYP3A4CACNA1B
SCHEMBL30833449 0.74 RORC (0.42) USP2MEN1KMT2AALDH1A1POLB

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