SCHEMBL5322332

SCHEMBL5322332

Cc1cc(Cl)ccc1Cn1nc(C=CCO)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.41
CCR2 P41597 1/20 0.38
SLC22A12 Q96S37 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
AKR1B1 P15121 1/20 0.35
RORC P51449 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ESRRA P11474 1/20 0.34
MC4R P32245 1/20 0.33
PTGER1 P34995 1/20 0.33
PPARG P37231 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL5322328 1.00 ENPP2 (0.41) ENPP2CCR2SLC22A12PTGDR2AKR1B1
SCHEMBL5323696 0.92 ENPP2 (0.40) ENPP2CCR2SLC22A12PTGDR2AKR1B1
SCHEMBL5323691 0.92 ENPP2 (0.40) ENPP2CCR2SLC22A12PTGDR2AKR1B1
SCHEMBL5318742 0.91 ENPP2 (0.39) ENPP2CCR2SLC22A12PTGDR2AKR1B1
SCHEMBL5318741 0.91 ENPP2 (0.39) ENPP2CCR2SLC22A12PTGDR2AKR1B1
SCHEMBL1045413 0.90 ENPP2 (0.42) ENPP2CCR2SLC22A12AKR1B1NPSR1
SCHEMBL1045414 0.90 ENPP2 (0.42) ENPP2CCR2SLC22A12AKR1B1NPSR1
SCHEMBL5324025 0.89 NR1H2 (0.42) ENPP2CCR2SLC22A12AKR1B1NR1H2
SCHEMBL5324030 0.89 NR1H2 (0.42) ENPP2CCR2SLC22A12AKR1B1NR1H2
SCHEMBL1050822 0.87 ENPP2 (0.45) ENPP2CCR2SLC22A12PTGDR2AKR1B1

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