SCHEMBL7135682

SCHEMBL7135682

CCc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.38
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
PTPN2 P17706 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
RET P07949 2/20 0.35
BRAF P15056 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
IDE P14735 1/20 0.33
RAB9A P51151 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL7136583 0.90 ALDH1A1 (0.38) PTPN1ALDH1A1POLBPTPN2MAPT
SCHEMBL7130441 0.85 KMT2A (0.49) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7138379 0.85 RET (0.48) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL5367226 0.82 PTPN1 (0.44) PTPN1ALDH1A1POLBPTPN2MAPT
SCHEMBL7138197 0.80 KMT2A (0.54) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7131028 0.78 ALDH1A1 (0.33) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7138851 0.77 IGF1R (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7134033 0.77 MAPT (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7138194 0.77 EGFR (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7131043 0.76 PIM1 (0.45) ALDH1A1POLBMAPTMEN1KMT2A

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed