SCHEMBL28699796

SCHEMBL28699796

CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc(-c3csc(Oc4ccc(C(F)(F)F)cc4)n3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.55
▸ KCNH2 Q12809 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL28699794 1.00 RORC (0.55) RORCKCNH2KDM4ERAB9A
SCHEMBL28715136 0.89 RORC (0.51) RORCKDM4ERAB9A
SCHEMBL28715139 0.89 RORC (0.51) RORCKDM4ERAB9A
SCHEMBL28699837 0.83 RORC (0.49) RORC
SCHEMBL28699838 0.83 RORC (0.49) RORC
SCHEMBL23631886 0.82 RORC (0.49) RORCKDM4ERAB9A
SCHEMBL23631889 0.82 RORC (0.49) RORCKDM4ERAB9A
SCHEMBL28719111 0.80 RORC (0.48) RORC
SCHEMBL28719108 0.80 RORC (0.48) RORC
SCHEMBL28936507 0.79 RORC (0.48) RORCKDM4ERAB9A

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