SCHEMBL13809595

SCHEMBL13809595

CC(C)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
ALDH1A1 P00352 4/20 0.63
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 2/20 0.44
PKM P14618 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APEX1 P27695 1/20 0.43

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
SCHEMBL3362738 0.86 MAPT (0.75) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL10028049 0.82 MAPT (0.66) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21119020 0.78 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL14267957 0.78 MAPT (0.64) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL16029701 0.77 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL3063864 0.76 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21067641 0.76 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL10405791 0.76 HSD17B10 (0.72) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL12572953 0.75 HSD17B10 (0.60) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL31358799 0.72 KMT2A (0.66) MAPTKMT2AMEN1ALDH1A1POLB

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
WO-2009078588-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING PYRIMIDINE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-06-25 WO disclosed