SCHEMBL28533944

SCHEMBL28533944

COC(=O)c1ccc(N2CC(c3ccc(C(F)(F)F)cc3)CC[C@H]2CO)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.40
CCR2 P41597 2/20 0.40
KCNH2 Q12809 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RORC P51449 1/20 0.37
CXCR3 P49682 1/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL30474508 1.00 KDM4E (0.41) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28526816 0.91 KDM4E (0.42) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28547087 0.88 ACACB (0.40) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28542969 0.88 KDM4E (0.38) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28534510 0.88 KDM4E (0.38) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28910598 0.86 KDM4E (0.37) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL23632570 0.85 ALDH1A1 (0.45) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28534482 0.85 ALDH1A1 (0.45) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28537446 0.85 KDM4E (0.41) KDM4EPOLBALDH1A1GAAMAPK1
SCHEMBL28532386 0.83 KDM4E (0.40) KDM4EPOLBALDH1A1GAAMAPK1

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