SCHEMBL4564720

SCHEMBL4564720

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Br)cc1)c1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.57
GFER P55789 1/20 0.57
MAPK1 P28482 2/20 0.55
GAA P10253 4/20 0.54
TTR P02766 1/20 0.54
HPGD P15428 2/20 0.53
EGFR P00533 1/20 0.52
CTNNB1 P35222 1/20 0.51
BACE1 P56817 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL1788588 0.91 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4564217 0.88 BACE1 (0.64) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1789459 0.87 MAPT (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1792290 0.87 SMN1; SMN2 (0.70) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12292684 0.85 MAPT (0.62) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1788293 0.85 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1793450 0.85 TTR (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1792192 0.85 MEN1 (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1788654 0.85 TTR (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1789934 0.85 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed