SCHEMBL997498

SCHEMBL997498

COC(=O)c1n[nH]c2cccc(Cc3ccc(F)cc3Cl)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
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 4/20 0.42
MAP2K4 P45985 1/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 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
SCHEMBL998168 0.89 KDM4E (0.45) KDM4ESTAT3HIF1AALDH1A1HSD17B10
SCHEMBL998544 0.89 KDM4E (0.45) KDM4ESTAT3HIF1AALDH1A1HTT
SCHEMBL998780 0.85 KDM4E (0.43) KDM4ESTAT3HIF1AHSD17B10LMNA
SCHEMBL7745040 0.77 KDM4E (0.55) KDM4ESTAT3HIF1AALDH1A1MAPT
SCHEMBL4791540 0.76 KDM4E (0.59) KDM4ESTAT3HIF1AHSD17B10LMNA
SCHEMBL5023203 0.75 TBXA2R (0.45) HIF1AHTTLMNAP2RX7NPSR1
SCHEMBL997788 0.75 ALPL (0.39) KDM4ESTAT3HIF1AALDH1A1HTT
SCHEMBL2862825 0.74 KDM4E (0.59) KDM4ESTAT3HIF1AHSD17B10LMNA
SCHEMBL3412438 0.73 MAPK8 (0.46) KDM4ESTAT3HIF1AALDH1A1MAPT
SCHEMBL2071431 0.70 KDM4E (0.55) KDM4ESTAT3HIF1AHSD17B10LMNA

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