SCHEMBL20003092

SCHEMBL20003092

C=CC1(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CCSCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20003157 0.87 RORC (0.33) RORCNPC1RAB9AATMMAPK1
SCHEMBL20003139 0.85 RAB9A (0.33) RORCNPC1RAB9AATMMAPK1
SCHEMBL20003044 0.76 RORC (0.40) RORCNPC1RAB9AATM
SCHEMBL20002924 0.75 MAPK1 (0.34) RORCNPC1RAB9AATMMAPK1
SCHEMBL20002171 0.74 KMT2A (0.38) RORCNPC1RAB9AATMMAPK1
SCHEMBL20003241 0.74 RORC (0.41) RORCNPC1RAB9AATMKMT2A
SCHEMBL20002445 0.74 RORC (0.41) RORCNPC1RAB9AATMMAPK1
SCHEMBL20002856 0.74 RORC (0.42) RORCNPC1RAB9AATMKMT2A
SCHEMBL20002207 0.74 RORC (0.45) RORCNPC1RAB9AATM
SCHEMBL20002926 0.74 RORC (0.43) RORCMAPK1

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