SCHEMBL6609151

SCHEMBL6609151

CNC(=O)c1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
PLK1 P53350 7/20 0.43
BAZ2B Q9UIF8 1/20 0.43
RIPK1 Q13546 1/20 0.43
CA2 P00918 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MMP13 P45452 1/20 0.40
PDK2 Q15119 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL6607415 0.83 SCN9A (0.51) PTPN1
SCHEMBL6611172 0.81 MAPT (0.57) HDAC2SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL6642630 0.80 TSHR (0.53) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL10469452 0.79 TSHR (0.48) MKNK1MKNK2TSHRNPC1RAB9A
SCHEMBL6605604 0.77 CYP2C19 (0.48) MKNK1MKNK2SMN1; SMN2HPGDTSHR
SCHEMBL6608219 0.77 CYP3A4 (0.44) SMN1; SMN2HPGDTSHRMAPTPDK2
SCHEMBL2026287 0.76 NPC1 (0.67) HDAC2HDAC8HDAC6MKNK1MKNK2
SCHEMBL16198923 0.75 HDAC6 (0.70) HDAC2HDAC8HDAC6MKNK1MKNK2
SCHEMBL14115137 0.75 HDAC6 (0.70) HDAC2HDAC8HDAC6MKNK1MKNK2
Hydrochloric Acid SCHEMBL16600494 0.74 NPC1 (0.64) HDAC2HDAC8HDAC6MKNK1MKNK2

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
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed