SCHEMBL30833477

SCHEMBL30833477

O=C(Nc1ccnnc1)N1CCCCC1C1(S(=O)(=O)c2cccc(F)c2)CC(F)(F)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
TSHR P16473 2/20 0.38
USP2 O75604 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KIF18A Q8NI77 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 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
SCHEMBL30833511 0.84 TSHR (0.47) RORCTSHRUSP2KMT2ACYP2C9
SCHEMBL17942474 0.84 TSHR (0.47) RORCTSHRUSP2KMT2ACYP2C9
SCHEMBL30833383 0.79 MEN1 (0.42) RORCTSHRUSP2MEN1KMT2A
SCHEMBL30833449 0.78 RORC (0.42) RORCTSHRUSP2MEN1KMT2A
SCHEMBL17949037 0.78 TSHR (0.47) RORCTSHRUSP2CYP2C9CYP2D6
SCHEMBL29530615 0.78 TSHR (0.47) RORCTSHRUSP2CYP2C9CYP2D6
SCHEMBL29529765 0.78 TSHR (0.49) RORCTSHRUSP2KMT2ACYP2C9
SCHEMBL17949438 0.78 TSHR (0.49) RORCTSHRUSP2KMT2ACYP2C9
SCHEMBL30833483 0.77 RIPK1 (0.42) RORCMEN1KMT2A
Trifluoroacetic Acid SCHEMBL30833404 0.74 RORC (0.40) RORCTSHRUSP2MEN1KMT2A

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