SCHEMBL25840262

SCHEMBL25840262

CCOC(=O)c1c(C(F)(F)F)ncc(C(F)(F)F)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
FHIT P49789 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL10370830 0.79 KDM4E (0.55) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL3051645 0.76 HSD17B10 (0.56) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL31523508 0.76 KDM4E (0.67) KDM4EALDH1A1L3MBTL1IDO1MAPT
SCHEMBL25391244 0.74 KDM4E (0.53) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL20639130 0.74 KDM4E (0.50) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL31523595 0.74 KDM4E (0.64) KDM4EALDH1A1L3MBTL1IDO1MAPT
SCHEMBL10568608 0.73 KDM4E (0.49) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL5480400 0.73 KDM4E (0.63) KDM4EALDH1A1L3MBTL1IDO1HPGD
SCHEMBL26685489 0.72 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1HPGDMAPT
SCHEMBL9592772 0.72 KDM4E (0.40) KDM4EALDH1A1L3MBTL1IDO1HPGD

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
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed