SCHEMBL28539765

SCHEMBL28539765

O=C(O)N1CCC=C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MYC P01106 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A1 P30531 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A7 Q99884 1/20 0.38
KIF11 P52732 2/20 0.37
NAMPT P43490 1/20 0.37
AKR1C3 P42330 1/20 0.37
NOTUM Q6P988 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
P2RY14 Q15391 1/20 0.36
KDM1A O60341 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
SCHEMBL29640885 0.81 MYC (0.43) MEN1KMT2AHPGDTSHRMYC
SCHEMBL21425206 0.81 MAPT (0.50) NAMPTP2RY14
SCHEMBL15140927 0.81 ALDH1A1 (0.42) MEN1KMT2AHPGDTSHRMYC
SCHEMBL31450581 0.80 LSS (0.46) MYCNAMPTSIGMAR1TDP1
SCHEMBL28985437 0.80 MYC (0.39) MEN1KMT2ATSHRMYCCYP2C9
SCHEMBL14563065 0.78 ALDH1A1 (0.48) MEN1KMT2AHPGDTSHRALOX15
SCHEMBL21713264 0.74 PTPN1 (0.55) MEN1KMT2ANAMPT
SCHEMBL13718336 0.73 ESR1 (0.52) KIF11
SCHEMBL23577529 0.72 PRMT5 (0.40) MEN1KMT2AHPGDTSHRNAMPT
SCHEMBL25243642 0.71 CHRNB2 (0.62) MEN1KMT2AHPGDMYCCYP3A4

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