SCHEMBL28533221

SCHEMBL28533221

C=CC(F)(F)OC[C@@H]1CC(c2ccc(C(F)(F)F)cc2)CN1c1ncc(C(=O)OCC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ACACB O00763 2/20 0.34
POLB P06746 2/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ANXA2 P07355 1/20 0.33
S100A10 P60903 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28532694 0.93 MAOB (0.36) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28537019 0.93 MAOB (0.36) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28532378 0.89 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL23632853 0.87 ACACB (0.42) MAOBMAPTSMN1; SMN2HPGDNPC1
SCHEMBL28525724 0.86 MAOB (0.41) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28539768 0.85 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28910595 0.85 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28535529 0.83 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28526859 0.81 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD
SCHEMBL28537468 0.81 MAOB (0.38) MAOBATMMAPTSMN1; SMN2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed