SCHEMBL8448399

SCHEMBL8448399

Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCn3ccnc3)[C@H](C)C(=O)NO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.55
ALDH1A1 P00352 1/20 0.47
ACACB O00763 1/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 3/20 0.43
MMP13 P45452 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NR4A1 P22736 1/20 0.41
KCNA5 P22460 1/20 0.40
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL8448226 0.99 BMP1 (0.54) BMP1ALDH1A1ACACBMMP2MMP9
SCHEMBL8446564 0.90 ALDH1A1 (0.46) BMP1ALDH1A1ACACBMMP2MMP9
SCHEMBL8446547 0.90 BMP1 (0.47) BMP1ALDH1A1ACACBSMN1; SMN2NR4A1
SCHEMBL8448395 0.89 ALDH1A1 (0.43) BMP1ALDH1A1ACACBMMP2MMP9
SCHEMBL8448762 0.82 MMP9 (0.50) BMP1MMP2MMP9MMP8MMP13
SCHEMBL8445867 0.80 MMP2 (0.48) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL8445776 0.79 MMP2 (0.54) BMP1ACACBMMP2MMP9MMP8
SCHEMBL8451690 0.77 BMP1 (0.53) BMP1MMP2MMP9MMP8MMP13
SCHEMBL8446555 0.77 BMP1 (0.46) BMP1MMP2MMP9MMP8MMP13
SCHEMBL8446551 0.76 MMP9 (0.59) BMP1MMP2MMP9MMP8MMP13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP claimed