SCHEMBL6328302

SCHEMBL6328302

O=C1Nc2ccccc2C1c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 3/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GSK3B P49841 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2828597 0.85 IDO1 (0.51) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL31728057 0.85 IDO1 (0.51) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL17074980 0.84 GSK3B (0.58) MEN1KMT2AIDO1PDE4APDE4B
SCHEMBL30564910 0.83 JAK2 (0.53) MEN1NPC1KMT2AIDO1PDE4A
SCHEMBL3078111 0.83 JAK2 (0.53) MEN1NPC1KMT2AIDO1PDE4A
SCHEMBL18025746 0.83 MAPT (0.49) GAAKMT2AIDO1PDE4APDE4B
SCHEMBL18025754 0.83 PDE4A (0.49) MEN1NPC1KMT2AIDO1PDE4A
SCHEMBL325218 0.82 HAO1 (0.53) HAO1MEN1NPC1GAAKMT2A
SCHEMBL18025745 0.79 PDE4A (0.55) MEN1NPC1GAAKMT2AIDO1
SCHEMBL18025750 0.78 PDE4A (0.51) NPC1IDO1PDE4APDE4BPDE4C

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-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed