SCHEMBL14396294

SCHEMBL14396294

CCc1cc(-c2n[nH]cc2-c2ccccc2)c(O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
LTB4R Q15722 9/20 0.44
LTB4R2 Q9NPC1 9/20 0.44
LMNA P02545 1/20 0.41
CHEK1 O14757 1/20 0.39
FGFR1 P11362 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL14456088 0.90 MEN1 (0.44) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL5271241 0.87 HSP90AA1 (0.49) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL14456080 0.84 MEN1 (0.67) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL4885229 0.84 MEN1 (0.48) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL4884535 0.83 MEN1 (0.52) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL14456083 0.81 HSP90AA1 (0.51) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL5272655 0.79 MEN1 (0.45) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL14396113 0.79 MEN1 (0.61) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL14456096 0.78 MAPT (0.72) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL9818693 0.75 PGR (0.49) MEN1KMT2AMAPTATMLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed