SCHEMBL2850404

SCHEMBL2850404

O=C(Nc1ccon1)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FFAR2 O15552 1/20 0.42
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2858063 0.88 MAPT (0.57) MAPTRAB9ANPC1NPSR1MAPK14
SCHEMBL2856078 0.85 KDM4E (0.50) MAPTMAPK14SMN1; SMN2TSHRPOLB
SCHEMBL2860252 0.81 MAPT (0.39) KMT2AMEN1MAPTFFAR2MAPK14
SCHEMBL2854169 0.80 MAPT (0.56) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2857105 0.80 MAPT (0.56) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2852152 0.80 MAPT (0.56) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2855981 0.79 MAPT (0.60) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2850518 0.77 MAPT (0.48) MAPTRAB9ANPC1NPSR1MAPK14
SCHEMBL2860712 0.76 MAPT (0.47) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2858205 0.75 RAB9A (0.49) KMT2AMEN1MAPTRAB9ANPC1

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