SCHEMBL998780

SCHEMBL998780

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTGER1 P34995 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
MAP2K4 P45985 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL998168 0.89 KDM4E (0.45) KDM4ESTAT3HIF1AMAP2K4LMNA
SCHEMBL998544 0.89 KDM4E (0.45) KDM4ESTAT3HIF1ATBXA2RPTGER3
SCHEMBL997498 0.85 KDM4E (0.43) KDM4ESTAT3HIF1ACYP1A2CYP2C9
SCHEMBL7745040 0.77 KDM4E (0.55) KDM4ESTAT3HIF1ACYP1A2CYP2C9
SCHEMBL2862825 0.76 KDM4E (0.59) KDM4ESTAT3HIF1AMAP2K4LMNA
SCHEMBL5023203 0.75 TBXA2R (0.45) HIF1ACYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL997788 0.75 ALPL (0.39) KDM4ESTAT3HIF1ACYP2C9MAP2K4
SCHEMBL4791540 0.74 KDM4E (0.59) KDM4ESTAT3HIF1AMAP2K4LMNA
SCHEMBL3412438 0.73 MAPK8 (0.46) KDM4ESTAT3HIF1ACYP1A2CYP2C9
SCHEMBL25113756 0.71 PTGER1 (0.60) CYP1A2CYP2C9TBXA2RPTGS1CYP2C19

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