SCHEMBL2850871

SCHEMBL2850871

O=C(Nc1ccccc1F)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
NPSR1 Q6W5P4 2/20 0.45
RIPK1 Q13546 1/20 0.43
MET P08581 2/20 0.41
AXL P30530 1/20 0.41
MST1R Q04912 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
BRAF P15056 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL2848541 0.91 RAB9A (0.43) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2857574 0.89 MAPT (0.50) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2856355 0.88 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2860786 0.88 MAPT (0.49) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2850763 0.87 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2850725 0.86 MAPT (0.54) NPC1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL2853256 0.84 SMN1; SMN2 (0.46) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2854516 0.83 P2RX7 (0.46) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2852361 0.83 KDM4E (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2860986 0.83 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2POLB

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