SCHEMBL7136163

SCHEMBL7136163

Cc1c(Br)cc(Br)c2c1C(=Cc1ccc([N+](=O)[O-])s1)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 19/20 0.55
KMT2A Q03164 19/20 0.55
MAPT P10636 16/20 0.55
KDM4E B2RXH2 15/20 0.55
RECQL P46063 10/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 9/20 0.49
POLB P06746 9/20 0.49
BLM P54132 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 8/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
THRB P10828 5/20 0.48
HTT P42858 5/20 0.48
CASP6 P55212 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
G6PD P11413 2/20 0.48
CACNA1B Q00975 2/20 0.47
APBA1 Q02410 2/20 0.47
HSP90AA1 P07900 5/20 0.46

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
SCHEMBL7135755 0.83 KMT2A (0.53) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7134821 0.83 KMT2A (0.43) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7132947 0.82 ERBB2 (0.57) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7130491 0.81 KMT2A (0.48) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7137068 0.80 MAPT (0.32) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7135668 0.80 XDH (0.57) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7138194 0.80 EGFR (0.51) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL7138227 0.78 METAP1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7135552 0.76 ERBB2 (0.34) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL7138197 0.76 KMT2A (0.54) MEN1KMT2AMAPTKDM4ERECQL

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