SCHEMBL2853091

SCHEMBL2853091

O=C(NC(c1cccnc1)c1cccnc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CCR1 P32246 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 4/20 0.45
TRPC3 Q13507 1/20 0.43
GPR6 P46095 1/20 0.42
ABCB1 P08183 1/20 0.41
HSD17B2 P37059 1/20 0.41
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
SCHEMBL2854612 0.90 CCR1 (0.53) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL2854457 0.84 CYP3A4 (0.43) MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL2859419 0.83 CYP3A4 (0.45) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL2856075 0.82 NAMPT (0.56) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2860428 0.82 KDM4E (0.52) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL2856202 0.78 CCR1 (0.55) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL2852163 0.77 KMT2A (0.53) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL2852931 0.77 KDM4E (0.57) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL28696410 0.77 ALDH1A1 (0.76) MAPTKDM4EALDH1A1CCR1POLB
SCHEMBL2855512 0.76 MALT1 (0.55) MAPTKDM4EALDH1A1POLBSMN1; 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