SCHEMBL5733668

SCHEMBL5733668

COC(=O)CC1CN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CCN1S(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
RORC P51449 6/20 0.39
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 1/20 0.38
CNR1 P21554 2/20 0.37
KMT2A Q03164 1/20 0.36
DRD2 P14416 2/20 0.36
STS P08842 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD3 P35462 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
SCHEMBL5733667 1.00 F10 (0.41) F10RORCMMP1MMP3MMP7
Hydrochloric Acid SCHEMBL7660180 0.99 F10 (0.40) F10RORCMMP1MMP3MMP7
Hydrochloric Acid SCHEMBL7660172 0.99 F10 (0.40) F10RORCMMP1MMP3MMP7
Hydrochloric Acid SCHEMBL5734521 0.88 F10 (0.41) F10MMP1MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL5734525 0.88 F10 (0.41) F10MMP1MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL5733749 0.85 F10 (0.44) F10MMP1MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL5733752 0.85 F10 (0.44) F10MMP1MMP3MMP7MMP9
SCHEMBL5735437 0.85 F10 (0.41) F10RORCKMT2ASMN1; SMN2
SCHEMBL5735439 0.85 F10 (0.41) F10RORCKMT2ASMN1; SMN2
SCHEMBL5735808 0.83 F10 (0.57) F10CNR1KMT2AGAASMN1; SMN2

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-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed