SCHEMBL2858757

SCHEMBL2858757

COc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.53
KCNMA1 Q12791 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TACR2 P21452 1/20 0.52
TACR1 P25103 1/20 0.52
TACR3 P29371 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
PNLIP P16233 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL2850458 0.91 MAPT (0.56) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL26673838 0.89 MAPT (0.51) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL26674014 0.85 KCNK3 (0.60) MAPTKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL26673937 0.85 KCNK3 (0.60) MAPTKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL26855509 0.81 MAPT (0.46) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL2855473 0.81 MAPT (0.71) MAPTPOLBCYP1A2CYP2D6CYP2C9
SCHEMBL2852245 0.79 MAPT (0.53) MAPTPOLBKDM4ELMNASMN1; SMN2
SCHEMBL5924285 0.78 GRM5 (0.69) MAPTPOLBLMNATP53KMT2A
SCHEMBL26673940 0.77 GRM5 (0.61) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL2857557 0.77 BRPF1 (0.51) MAPTSMN1; SMN2RAB9ANPC1TP53

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 disclosed