SCHEMBL11079619

SCHEMBL11079619

O=C1Nc2ccc(-c3ccc(O)cc3)cc2C1c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
JAK2 O60674 1/20 0.42
KIT P10721 1/20 0.42
JAK3 P52333 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ALK Q9UM73 1/20 0.42
PGR P06401 3/20 0.40
CHEK1 O14757 3/20 0.40
HAO1 Q9UJM8 1/20 0.40
TDP2 O95551 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 3/20 0.37
AKT1 P31749 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL27965965 0.83 NQO2 (0.44) BRD4JAK2KITJAK3MAP4K2
SCHEMBL27965887 0.83 BRD4 (0.43) BRD4JAK2KITJAK3MAP4K2
SCHEMBL27965792 0.80 CYP19A1 (0.41) BRD4JAK2KITJAK3MAP4K2
SCHEMBL3078111 0.79 JAK2 (0.53) BRD4JAK2KITJAK3MAP4K2
SCHEMBL30564910 0.79 JAK2 (0.53) BRD4JAK2KITJAK3MAP4K2
SCHEMBL29242303 0.72 BRD4 (0.47) BRD4MEN1KMT2AKDM4E
SCHEMBL30965336 0.72 BRD4 (0.47) BRD4MEN1KMT2AKDM4E
SCHEMBL6381012 0.70 KDM4E (0.48) JAK2KITJAK3MAP4K2ALK
SCHEMBL9580444 0.70 KMT2A (0.46) BRD4JAK2KITJAK3MAP4K2
SCHEMBL325218 0.68 HAO1 (0.53) BRD4HAO1MEN1KMT2AKDM1A

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
US-4450266-A STABILIZERS BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed