SCHEMBL2852552

SCHEMBL2852552

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 6/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR6 P46095 1/20 0.39
EPHB3 P54753 2/20 0.39
ACHE P22303 1/20 0.38
RAB9A P51151 2/20 0.38
P2RX7 Q99572 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 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
SCHEMBL2860786 0.94 MAPT (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2854516 0.93 P2RX7 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2854596 0.91 TP53 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2848541 0.91 RAB9A (0.43) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2859508 0.90 CYP1A2 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2854533 0.89 MEN1 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2855775 0.89 P2RY1 (0.44) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2850610 0.88 MAPT (0.40) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2854497 0.87 NPY5R (0.44) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2857074 0.87 LPAR1 (0.42) MEN1KMT2AMAPTPOLBSMN1; SMN2

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