SCHEMBL30833461

SCHEMBL30833461

O=S(=O)(Cc1ccccn1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP14 P50281 2/20 0.47
MMP3 P08254 2/20 0.47
MMP1 P03956 1/20 0.47
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TLR7 Q9NYK1 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
PRMT1 Q99873 1/20 0.41

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
SCHEMBL26536664 0.81 ALDH1A1 (0.70) ALDH1A1LMNAPOLBGAATSHR
SCHEMBL4635552 0.79 KDM4E (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL30595144 0.78 KMT2A (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2070900 0.78 KMT2A (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4636274 0.76 KDM4E (0.54) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL17942299 0.75 NAMPT (0.53) MMP2MMP9KMT2AMMP14MMP3
SCHEMBL28293656 0.75 MAPT (0.51) MMP2MMP9MEN1KMT2AMMP14
SCHEMBL4174306 0.75 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL1018493 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1018436 0.72 HSD17B10 (0.62) KMT2AALDH1A1NPC1RAB9ALMNA

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