SCHEMBL2850449

SCHEMBL2850449

O=C(O)c1cnn(-c2cc(Cl)ccc2Cl)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
CRHBP P24387 1/20 0.54
MC4R P32245 1/20 0.54
CRHR2 Q13324 1/20 0.54
HTT P42858 1/20 0.46
NOTUM Q6P988 1/20 0.45
KEAP1 Q14145 5/20 0.44
NFE2L2 Q16236 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.41
MALT1 Q9UDY8 2/20 0.41
TSHR P16473 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
SCHEMBL2299638 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL2298539 0.85 POLB (0.54) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL30785613 0.84 MAPT (0.68) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL2299066 0.84 MAPT (0.68) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL2852951 0.83 MALT1 (0.45) KDM4EALDH1A1MALT1
SCHEMBL2859858 0.81 CCR1 (0.52) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL5681145 0.81 MALT1 (0.51) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL2064195 0.81 MAPT (0.76) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL30147712 0.81 POLB (0.56) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL21605000 0.81 POLB (0.56) SMN1; SMN2MAPTPOLBMEN1KMT2A

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