SCHEMBL2860428

SCHEMBL2860428

O=C(NC(c1ccccn1)c1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR1 P32246 5/20 0.46
TRPC3 Q13507 1/20 0.43
KMT2A Q03164 1/20 0.43
MALT1 Q9UDY8 2/20 0.42
GPR6 P46095 1/20 0.42
HSD11B1 P28845 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2855560 0.87 ALDH1A1 (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854040 0.86 KDM4E (0.48) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2850157 0.85 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2858119 0.84 MAPT (0.43) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2862815 0.83 DRD2 (0.41) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2855566 0.83 MALT1 (0.44) KDM4EALDH1A1MAPTMALT1
SCHEMBL2853091 0.82 MAPT (0.49) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2857034 0.77 KDM4E (0.62) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2860432 0.77 KCNMA1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2852931 0.77 KDM4E (0.57) KDM4EALDH1A1MAPTPOLBSMN1; 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 2 patents. 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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed