SCHEMBL28638488

SCHEMBL28638488

Cc1ccc(CCOc2nccnc2-c2ccc(NC(=O)Cc3ccc(C(F)(F)[C@@H](C)O)cc3)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.41
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ RORC P51449 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ P2RY14 Q15391 1/20 0.38
▸ WNT3A P56704 2/20 0.37
▸ RET P07949 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL28641213 0.94 RORC (0.40) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL28638477 0.86 KCNJ5 (0.47) RORCWNT3ARETTRPV1
SCHEMBL28645373 0.86 KCNJ5 (0.47) RORCWNT3ARETTRPV1
SCHEMBL19205660 0.86 PSEN1 (0.39) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL21796367 0.86 PSEN1 (0.39) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL21133931 0.86 PSEN1 (0.39) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL18448244 0.84 PSEN1 (0.43) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL18448570 0.83 CACNA1I (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18448919 0.83 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21796355 0.81 RORC (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN claimed
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