SCHEMBL11528907

SCHEMBL11528907

CCOC(=O)C(C)C(=O)c1cccnn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.48
P2RX7 Q99572 1/20 0.45
CYP1A2 P05177 1/20 0.42
FAAH O00519 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CES1 P23141 1/20 0.37
GAA P10253 1/20 0.37
PIN1 Q13526 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 2/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL11530273 0.84 CTDSP1 (0.47) CTDSP1P2RX7CYP1A2FAAHMAPT
SCHEMBL11528238 0.81 CTDSP1 (0.45) CTDSP1P2RX7CYP1A2FAAHL3MBTL1
SCHEMBL27196361 0.80 GSK3B (0.51) CYP1A2MAPTL3MBTL1MEN1KMT2A
SCHEMBL11529448 0.79 FAAH (0.44) CTDSP1P2RX7CYP1A2FAAHMAPT
SCHEMBL2930179 0.79 CYP1A2 (0.62) CTDSP1P2RX7CYP1A2FAAHMAPT
SCHEMBL29427469 0.79 CYP1A2 (0.62) CTDSP1P2RX7CYP1A2FAAHMAPT
SCHEMBL11528581 0.78 CYP1A2 (0.38) CYP1A2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8005224 0.77 P2RX7 (0.52) CTDSP1P2RX7CYP1A2FAAHMEN1
SCHEMBL27619723 0.76 P2RX7 (0.45) CTDSP1P2RX7CYP1A2FAAHL3MBTL1
SCHEMBL11526195 0.76 NNMT (0.50) CYP1A2L3MBTL1MEN1KMT2APIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 US disclosed