SCHEMBL28699837

SCHEMBL28699837

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(-c3csc(Oc4ccc(C(F)(F)F)cc4)n3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.49
▸ KDM4A O75164 1/20 0.42
▸ KDM4B O94953 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42

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
SCHEMBL28699838 1.00 RORC (0.49) RORCKDM4AKDM4BKDM5CKDM5B
SCHEMBL28715136 0.91 RORC (0.51) RORC
SCHEMBL28715139 0.91 RORC (0.51) RORC
SCHEMBL28699806 0.87 RORC (0.47) RORC
SCHEMBL28699808 0.87 RORC (0.47) RORC
SCHEMBL28712560 0.86 RORC (0.47) RORC
SCHEMBL28712559 0.86 RORC (0.47) RORC
SCHEMBL28715174 0.84 RORC (0.45) RORC
SCHEMBL28699794 0.83 RORC (0.55) RORC
SCHEMBL28699796 0.83 RORC (0.55) 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
CN-114075139-A Five-membered heteroaromatic ring compound and application thereof in medicines 广东东阳光药业有限公司 2022-02-22 — — CN disclosed
Send feedback