SCHEMBL21796355

SCHEMBL21796355

Cc1ccc(C(C)Oc2nccnc2-c2ccc(NC(=O)Cc3ccc(C(F)(F)C(C)O)cc3)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.41
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RORB Q92753 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 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
SCHEMBL19205562 1.00 RORC (0.41) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL21796367 0.92 PSEN1 (0.39) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL19205660 0.92 PSEN1 (0.39) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL21133931 0.92 PSEN1 (0.39) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL21796352 0.90 RORC (0.44) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL18447911 0.90 RORC (0.44) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL19205696 0.90 RORC (0.44) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL28641213 0.86 RORC (0.40) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL28638488 0.81 PSMB5 (0.41) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL19205794 0.80 RORC (0.44) RORCPSEN1PSEN2APH1BNCSTN

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-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP claimed
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