SCHEMBL20002207

SCHEMBL20002207

O=C(O)C1CCC(O)(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.45
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.37
NR1I2 O75469 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL20002924 0.86 MAPK1 (0.34) RORCNPC1RAB9AATM
SCHEMBL20002735 0.86 RORC (0.47) RORC
SCHEMBL20002445 0.86 RORC (0.41) RORCNPC1RAB9AATM
SCHEMBL20002171 0.86 KMT2A (0.38) RORCMAPTNPC1RAB9AATM
SCHEMBL20002926 0.85 RORC (0.43) RORCNR1I2
SCHEMBL20002751 0.83 NOTUM (0.42) RORCNOTUMMAPT
SCHEMBL20002969 0.83 NOTUM (0.45) RORCNOTUMMAPTRAB9A
SCHEMBL20002669 0.83 NOTUM (0.45) RORCNOTUMMAPTRAB9A
SCHEMBL20003044 0.81 RORC (0.40) RORCMAPTNPC1RAB9AATM
SCHEMBL20002958 0.81 NOTUM (0.48) RORCNOTUMMAPT

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