SCHEMBL2853255

SCHEMBL2853255

O=C(Nc1cccc2cccnc12)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
KDR P35968 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 3/20 0.44
TRPV1 Q8NER1 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 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
SCHEMBL2850858 0.92 KDR (0.48) HSP90AA1KDRMEN1KMT2AMAPT
SCHEMBL2853256 0.86 SMN1; SMN2 (0.46) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2854574 0.85 HSP90AA1 (0.51) HSP90AA1KDRMEN1KMT2AMAPT
SCHEMBL2852188 0.83 KDM4E (0.58) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2850871 0.82 NPC1 (0.51) KMT2AMAPTSMN1; SMN2POLBRAB9A
SCHEMBL2857574 0.82 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2856355 0.81 RAB9A (0.52) KMT2AMAPTSMN1; SMN2POLBRAB9A
SCHEMBL2860786 0.81 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2850383 0.81 KMT2A (0.47) HSP90AA1KDRMEN1KMT2AMAPT
SCHEMBL2850763 0.81 MAPT (0.48) KMT2AMAPTSMN1; SMN2POLBRAB9A

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