SCHEMBL2854516

SCHEMBL2854516

O=C(Nc1ccccc1Cl)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NR3C1 P04150 4/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP4 P27487 1/20 0.37
EPHB3 P54753 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2852552 0.93 MEN1 (0.51) P2RX7MEN1KMT2AMAPTPOLB
SCHEMBL2860786 0.93 MAPT (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2852361 0.88 KDM4E (0.47) P2RX7MEN1KMT2AMAPTPOLB
SCHEMBL2860986 0.88 MAPT (0.45) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2848541 0.85 RAB9A (0.43) P2RX7MEN1KMT2AMAPTPOLB
SCHEMBL2855775 0.84 P2RY1 (0.44) P2RX7MEN1KMT2AMAPTPOLB
SCHEMBL2854596 0.83 TP53 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2858155 0.83 POLB (0.49) P2RX7MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL2854563 0.83 P2RX7 (0.57) P2RX7MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL2850871 0.83 NPC1 (0.51) KMT2AMAPTPOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed