SCHEMBL5318955

SCHEMBL5318955

OCC/C=C/c1nn(Cc2ccc(F)cc2Cl)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
AR P10275 1/20 0.41
RXRA P19793 1/20 0.41
ENPP2 Q13822 2/20 0.39
P2RX7 Q99572 4/20 0.37
TP53 P04637 2/20 0.36
GRM2 Q14416 1/20 0.36
PPARG P37231 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5318957 1.00 NR1H2 (0.41) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5319915 0.94 NR1H2 (0.39) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5319914 0.94 NR1H2 (0.39) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5320416 0.92 NR1H2 (0.42) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5320419 0.92 NR1H2 (0.42) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5316363 0.91 ENPP2 (0.41) NR1H2NR1H3ENPP2PPARGLMNA
SCHEMBL5316361 0.91 ENPP2 (0.41) NR1H2NR1H3ENPP2PPARGLMNA
SCHEMBL5317854 0.90 KCNK3 (0.38) NR1H2NR1H3RXRAENPP2SLC22A12
SCHEMBL5317853 0.90 KCNK3 (0.38) NR1H2NR1H3RXRAENPP2SLC22A12
SCHEMBL5321881 0.86 NR1H2 (0.41) NR1H2NR1H3ENPP2GRM2SLC22A12

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