SCHEMBL998168

SCHEMBL998168

COC(=O)c1n[nH]c2cccc(Cc3ccc(F)cc3F)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
STAT3 P40763 1/20 0.45
HIF1A Q16665 1/20 0.45
ALPL P05186 1/20 0.42
MAPT P10636 1/20 0.42
MAP2K4 P45985 1/20 0.41
P2RX7 Q99572 1/20 0.40
NTRK1 P04629 3/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT3 P36888 1/20 0.36
PLA2G2A P14555 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL997498 0.89 KDM4E (0.43) KDM4ESTAT3HIF1AMAPTMAP2K4
SCHEMBL998780 0.89 KDM4E (0.43) KDM4ESTAT3HIF1AMAPTMAP2K4
SCHEMBL998544 0.80 KDM4E (0.45) KDM4ESTAT3HIF1AALPLMAPT
SCHEMBL7745040 0.79 KDM4E (0.55) KDM4ESTAT3HIF1AMAPTALDH1A1
SCHEMBL2862825 0.78 KDM4E (0.59) KDM4ESTAT3HIF1AALPLMAPT
SCHEMBL3412438 0.74 MAPK8 (0.46) KDM4ESTAT3HIF1AMAPTALDH1A1
SCHEMBL23872474 0.73 KDM4E (0.48) KDM4ESTAT3HIF1AALPLMAPT
SCHEMBL2599805 0.71 KDM4E (0.60) KDM4ESTAT3HIF1AMAPTSMN1; SMN2
SCHEMBL2536370 0.70 KDM4E (0.63) KDM4ESTAT3HIF1AALPLMAPT
SCHEMBL14271999 0.70 KDM4E (0.59) KDM4ESTAT3HIF1AALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed