SCHEMBL20002959

SCHEMBL20002959

CS(=O)(=O)[C@H]1CC[C@H](C(=O)I)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.30

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
SCHEMBL22729320 0.79 LMNA (0.41) TSHRSMN1; SMN2
SCHEMBL16892234 0.79 TSHR (0.34) TSHRSMN1; SMN2MAPK1
SCHEMBL16892243 0.79 TSHR (0.34) TSHRSMN1; SMN2MAPK1
SCHEMBL21341350 0.77 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL4957529 0.77
SCHEMBL1965395 0.77
SCHEMBL16887513 0.76 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL24011102 0.74 TP53 (0.56) SMN1; SMN2
SCHEMBL16886397 0.74 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL16886396 0.74 TSHR (0.32) TSHRSMN1; 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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed