SCHEMBL20002773

SCHEMBL20002773

O=C(O)C1CC2CCC(C1)N2C(=O)N1CCC([S+]([O-])c2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.37
HSD11B1 P28845 6/20 0.33
CHRM1 P11229 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CACNA1B Q00975 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20002969 0.85 NOTUM (0.45) RORCNOTUMMAPTHSD11B1RAB9A
SCHEMBL20002669 0.85 NOTUM (0.45) RORCNOTUMMAPTHSD11B1RAB9A
SCHEMBL20002957 0.85 NOTUM (0.48) RORCNOTUMMAPTHSD11B1KMT2A
SCHEMBL20002958 0.85 NOTUM (0.48) RORCNOTUMMAPTHSD11B1KMT2A
SCHEMBL20002341 0.82 MAPT (0.48) RORCNOTUMMAPTRAB9AKMT2A
SCHEMBL20002250 0.82 MAPT (0.48) RORCNOTUMMAPTRAB9AKMT2A
SCHEMBL20002751 0.81 NOTUM (0.42) RORCNOTUMMAPTL3MBTL1
SCHEMBL20002559 0.76 ALDH1A1 (0.45) RORCNOTUMMAPTNPC1KMT2A
SCHEMBL20002207 0.76 RORC (0.45) RORCNOTUMMAPTNPC1RAB9A
SCHEMBL20002280 0.76 TACR1 (0.40) RORCHSD11B1

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