SCHEMBL2850858

SCHEMBL2850858

O=C(Nc1cccc2cccnc12)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HSP90AA1 P07900 2/20 0.41
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2853255 0.92 HSP90AA1 (0.48) KDRMEN1KMT2ACASP3SENP8
SCHEMBL2857584 0.89 RAB9A (0.45) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL2852805 0.84 KDR (0.56) KDRL3MBTL1GAAMEN1KMT2A
SCHEMBL2852552 0.83 MEN1 (0.51) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL2854596 0.82 TP53 (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2848541 0.82 RAB9A (0.43) L3MBTL1MEN1KMT2AMAPTKDM4E
SCHEMBL2857353 0.82 CCR1 (0.47) GAAMAPTTRPV1KDM4ESMN1; SMN2
SCHEMBL2854503 0.82 KDR (0.47) KDRL3MBTL1GAAMEN1KMT2A
SCHEMBL2852636 0.82 NPC1 (0.46) L3MBTL1MEN1KMT2AHSP90AA1MAPT
SCHEMBL2853256 0.82 SMN1; SMN2 (0.46) L3MBTL1MEN1KMT2AMAPTKDM4E

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