SCHEMBL28534572

SCHEMBL28534572

CCOC(=O)c1cnc(N2CC(c3ccc(C(F)(F)F)cc3)CC[C@H]2CO)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PROKR1 Q8TCW9 2/20 0.38
ACACB O00763 2/20 0.38
POLB P06746 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TMEM97 Q5BJF2 1/20 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
SCHEMBL28542465 1.00 MAOB (0.40) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28525724 0.91 MAOB (0.41) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28526834 0.88 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28526859 0.88 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28537468 0.88 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28532694 0.86 MAOB (0.36) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28537019 0.86 MAOB (0.36) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28539768 0.83 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28532378 0.82 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28910595 0.81 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT

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