SCHEMBL7138253

SCHEMBL7138253

COc1ccc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PLK4 O00444 3/20 0.46
RET P07949 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AR P10275 1/20 0.46
NOX4 Q9NPH5 1/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK3 O43781 1/20 0.44
PIM1 P11309 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL7138342 0.89 ALDH1A1 (0.53) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL7138252 0.87 ERBB2 (0.45) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL5363090 0.85 LRRK2 (0.60) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL5366009 0.85 ERBB2 (0.62) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL7137722 0.84 KDM1A (0.54) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL5357895 0.84 IGF1R (0.53) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL5366852 0.84 LRRK2 (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7136800 0.83 MAP1LC3B (0.56) MEN1KMT2AMAPTTDP1PLK4
SCHEMBL5358747 0.83 PLK4 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7137544 0.82 LRRK2 (0.49) MEN1KMT2AMAPTTDP1PLK4

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