SCHEMBL30833449

SCHEMBL30833449

O=C(Nc1ccnnc1)N1CCCCC1C(F)(F)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL30833383 0.92 MEN1 (0.42) RORCTSHRUSP2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL30833404 0.88 RORC (0.40) RORCTSHRUSP2MEN1KMT2A
SCHEMBL30833416 0.83 TSHR (0.49) RORCTSHRUSP2KMT2AALDH1A1
SCHEMBL17942394 0.83 TSHR (0.49) RORCTSHRUSP2KMT2AALDH1A1
SCHEMBL30833471 0.80 RORC (0.36) RORCTSHRKMT2AWNT3SFRP1
SCHEMBL30833387 0.80 ABCC9 (0.41) TSHRUSP2MEN1KMT2AWNT3
SCHEMBL30833492 0.80 RORC (0.36) RORCTSHRKMT2AWNT3SFRP1
SCHEMBL30833437 0.79 RORC (0.37) RORCTSHRWNT3SFRP1MAPT
SCHEMBL17949198 0.78 TSHR (0.48) RORCTSHRUSP2KMT2AALDH1A1
SCHEMBL17949166 0.78 TSHR (0.48) RORCTSHRUSP2KMT2AALDH1A1

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