SCHEMBL28535529

SCHEMBL28535529

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
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
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
ANXA2 P07355 1/20 0.34
S100A10 P60903 1/20 0.34
THRB P10828 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 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
SCHEMBL29200041 0.83 MAPT (0.39) MAOBATMTRPV1FOSJUN
SCHEMBL28533221 0.83 MAOB (0.37) MAOBATMTRPV1FOSJUN
SCHEMBL28525724 0.82 MAOB (0.41) MAOBATMTRPV1FOSJUN
SCHEMBL28526852 0.80 KDM4E (0.39) MAPTSMN1; SMN2NPC1RAB9AACACB
SCHEMBL28537019 0.79 MAOB (0.36) MAOBATMTRPV1FOSJUN
SCHEMBL28532694 0.79 MAOB (0.36) MAOBATMTRPV1FOSJUN
SCHEMBL28532378 0.78 MAOB (0.38) MAOBATMTRPV1FOSJUN
SCHEMBL28539768 0.78 MAOB (0.38) MAOBATMTRPV1FOSJUN
SCHEMBL28534572 0.78 MAOB (0.40) MAOBATMTRPV1FOSJUN
SCHEMBL28542465 0.78 MAOB (0.40) MAOBATMTRPV1FOSJUN

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