SCHEMBL7138706

SCHEMBL7138706

CCOc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
MAPT P10636 8/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 7/20 0.50
PDE4B Q07343 3/20 0.50
PDE3A Q14432 3/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
DYRK1A Q13627 1/20 0.45
KDM1A O60341 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL7133184 0.91 KDM1A (0.52) MAPTKMT2AALDH1A1PDE4BPDE3A
SCHEMBL7133939 0.88 PIM1 (0.53) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL7132141 0.86 KMT2A (0.53) MAPTKMT2AALDH1A1PDE4BMEN1
SCHEMBL5357895 0.85 IGF1R (0.53) IGF1RMAPTKMT2AALDH1A1PDE4B
SCHEMBL7136184 0.84 ERBB2 (0.43) MAPTKMT2AALDH1A1PDE4BMEN1
SCHEMBL7137722 0.84 KDM1A (0.54) MAPTKMT2AALDH1A1MEN1DYRK1A
SCHEMBL7139008 0.84 PIM1 (0.47) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL7135307 0.83 ERBB2 (0.57) MAPTKMT2AALDH1A1PDE4BMEN1
SCHEMBL7137199 0.81 MEN1 (0.58) IGF1RMAPTKMT2AALDH1A1PDE4B
SCHEMBL7138260 0.80 METAP1 (0.55) KMT2AMEN1L3MBTL1DYRK1AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed