SCHEMBL5318281

SCHEMBL5318281

CCOC(=O)/C=C/c1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
SLC22A12 Q96S37 2/20 0.41
P2RX7 Q99572 3/20 0.39
ENPP2 Q13822 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
AR P10275 1/20 0.39
RXRA P19793 1/20 0.39
LMNA P02545 1/20 0.38
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL5318284 1.00 PPARG (0.41) PPARGSLC22A12P2RX7ENPP2NR1H2
SCHEMBL4109252 0.92 LMNA (0.43) PPARGSLC22A12ENPP2LMNAMLYCD
SCHEMBL997568 0.92 LMNA (0.43) PPARGSLC22A12ENPP2LMNAMLYCD
SCHEMBL5319812 0.91 KCNK3 (0.40) SLC22A12ENPP2MLYCDALDH1A1PTGDR2
SCHEMBL5319814 0.91 KCNK3 (0.40) SLC22A12ENPP2MLYCDALDH1A1PTGDR2
SCHEMBL5321226 0.88 ENPP2 (0.41) PPARGSLC22A12ENPP2NR1H2NR1H3
SCHEMBL5321228 0.88 ENPP2 (0.41) PPARGSLC22A12ENPP2NR1H2NR1H3
SCHEMBL12693789 0.87 ENPP2 (0.44) PPARGSLC22A12P2RX7ENPP2NR1H2
SCHEMBL5323793 0.87 ENPP2 (0.41) PPARGSLC22A12ENPP2LMNAMLYCD
SCHEMBL5323790 0.87 ENPP2 (0.41) PPARGSLC22A12ENPP2LMNAMLYCD

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
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