SCHEMBL30833437

SCHEMBL30833437

Cc1cc(S(=O)(=O)C(F)(F)C2CCCCN2C(=O)Nc2ccnnc2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
EPHX2 P34913 2/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
WNT3 P56703 1/20 0.32
SFRP1 Q8N474 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
TRPV1 Q8NER1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CD38 P28907 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
SCHEMBL30833421 0.90 RORC (0.36) RORCEPHX2MAPTALDH1A1PRMT5
SCHEMBL17942465 0.83 TRPV1 (0.39) RORCEPHX2MAPTTSHRLMNA
SCHEMBL30833427 0.83 RORC (0.36) RORCEPHX2MAPTALDH1A1PRMT5
SCHEMBL30833456 0.82 RORC (0.35) RORCEPHX2MAPTALDH1A1PRMT5
SCHEMBL19996410 0.79 TRPV1 (0.38) RORCEPHX2LMNATRPV1
SCHEMBL30833449 0.79 RORC (0.42) RORCEPHX2MAPTALDH1A1HPGD
SCHEMBL30833471 0.77 RORC (0.36) RORCEPHX2MAPTALDH1A1HPGD
SCHEMBL17949080 0.77 EPHX2 (0.38) EPHX2MAPTALDH1A1HPGDTSHR
SCHEMBL29529743 0.77 EPHX2 (0.38) EPHX2MAPTALDH1A1HPGDTSHR
SCHEMBL30833492 0.77 RORC (0.36) RORCEPHX2MAPTALDH1A1HPGD

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