SCHEMBL30833492

SCHEMBL30833492

O=Cc1ccccc1S(=O)(=O)C(F)(F)C1CCCCN1C(=O)Nc1ccnnc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
NAMPT P43490 1/20 0.35
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35
EPHX2 P34913 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
LRRK2 Q5S007 2/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL30833471 0.87 RORC (0.36) RORCNAMPTWNT3SFRP1EPHX2
SCHEMBL30833489 0.83 NAMPT (0.37) RORCNAMPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL17942485 0.83 NAMPT (0.37) RORCNAMPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL30833394 0.82 RORC (0.35) RORCNAMPTWNT3SFRP1EPHX2
SCHEMBL30833449 0.80 RORC (0.42) RORCWNT3SFRP1EPHX2NPC1
SCHEMBL29262256 0.77 RORC (0.38) RORCWNT3SFRP1TRPV1LRRK2
SCHEMBL30833437 0.77 RORC (0.37) RORCWNT3SFRP1EPHX2SMN1; SMN2
SCHEMBL30833487 0.76 SFRP1 (0.40) WNT3SFRP1NPC1KMT2A
SCHEMBL30833421 0.75 RORC (0.36) RORCWNT3SFRP1EPHX2SMN1; SMN2
SCHEMBL30833383 0.75 MEN1 (0.42) RORCWNT3SFRP1EPHX2KMT2A

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