SCHEMBL28537019

SCHEMBL28537019

C=CC(F)(F)OC[C@H]1CCC(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 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PROKR1 Q8TCW9 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ACACB O00763 2/20 0.34
POLB P06746 2/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GCK P35557 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 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 1.00 MAOB (0.36) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28533221 0.93 MAOB (0.37) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28537468 0.89 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28526859 0.89 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28534572 0.86 MAOB (0.40) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28542465 0.86 MAOB (0.40) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL28526834 0.86 MAOB (0.38) MAOBATMSMN1; SMN2HPGDMAPT
SCHEMBL23632853 0.83 ACACB (0.42) MAOBSMN1; SMN2HPGDMAPTNPC1
SCHEMBL28910598 0.82 KDM4E (0.37) SMN1; SMN2MAPTNPC1RAB9APROKR1
SCHEMBL28532378 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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