SCHEMBL2856496

SCHEMBL2856496

O=C(Nc1nccs1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
FFAR2 O15552 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 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
SCHEMBL2852244 0.83 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2860432 0.82 KCNMA1 (0.51) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2852516 0.82 MALT1 (0.39) MEN1KMT2AMAPTLMNANPC1
SCHEMBL2859029 0.82 FFAR2 (0.46) MEN1KMT2AMAPTSMN1; SMN2CASP3
SCHEMBL2850524 0.81 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2854992 0.81 L3MBTL1 (0.43) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2860795 0.81 KMT2A (0.46) MEN1KMT2AMAPTSMN1; SMN2FFAR2
SCHEMBL2848317 0.80 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2857584 0.80 RAB9A (0.45) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL2850728 0.79 ALDH1A1 (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT

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