SCHEMBL998544

SCHEMBL998544

COC(=O)c1n[nH]c2cccc(Cc3ccc(Cl)cc3Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
STAT3 P40763 1/20 0.45
HIF1A Q16665 1/20 0.45
GSK3B P49841 1/20 0.43
ALPL P05186 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAP2K4 P45985 1/20 0.41
P2RX7 Q99572 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGIR P43119 1/20 0.40
PTGDR Q13258 1/20 0.40
PDE3B Q13370 1/20 0.39

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) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL998780 0.89 KDM4E (0.43) KDM4ESTAT3HIF1AGSK3BSMN1; SMN2
SCHEMBL5023203 0.86 TBXA2R (0.45) HIF1AGSK3BALPLP2RX7LMNA
SCHEMBL997788 0.83 ALPL (0.39) KDM4ESTAT3HIF1AGSK3BALPL
SCHEMBL998168 0.80 KDM4E (0.45) KDM4ESTAT3HIF1AALPLSMN1; SMN2
SCHEMBL7745040 0.79 KDM4E (0.55) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL4791540 0.78 KDM4E (0.59) KDM4ESTAT3HIF1ASMN1; SMN2GAA
SCHEMBL3412438 0.74 MAPK8 (0.46) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL2071431 0.72 KDM4E (0.55) KDM4ESTAT3HIF1ASMN1; SMN2GAA
SCHEMBL2599805 0.71 KDM4E (0.60) KDM4ESTAT3HIF1ASMN1; SMN2KMT2A

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 7 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
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
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
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO disclosed