SCHEMBL20003029

SCHEMBL20003029

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.41
MAPK1 P28482 1/20 0.35
KDM1A O60341 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
SCHEMBL20002964 0.87 RORC (0.35) RORCKDM1A
SCHEMBL20003037 0.86 RORC (0.38) RORCMAPK1
SCHEMBL20002167 0.85 KDM1A (0.40) RORCKDM1A
SCHEMBL20002280 0.85 TACR1 (0.40) RORC
SCHEMBL20003049 0.82 AKR1C3 (0.51)
SCHEMBL20002669 0.82 NOTUM (0.45) RORC
SCHEMBL20002969 0.82 NOTUM (0.45) RORC
SCHEMBL20002664 0.81 TSHR (0.41) MAPK1
SCHEMBL20002631 0.81 HSD11B1 (0.33) RORC
SCHEMBL20002352 0.81 MAPT (0.39) RORC

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