SCHEMBL9601134

SCHEMBL9601134

CCOC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL10828884 0.89 MAPT (0.54) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL10828876 0.89 MAPT (0.54) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL9782455 0.88 MAPT (0.56) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL9782447 0.88 MAPT (0.56) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL9782611 0.84 ITGA4 (0.43) L3MBTL1KMT2APOLBALDH1A1MAPT
SCHEMBL8722807 0.84 ITGA4 (0.43) L3MBTL1KMT2APOLBALDH1A1MAPT
SCHEMBL6448822 0.83 L3MBTL1 (0.53) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL6448813 0.83 L3MBTL1 (0.53) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL27519961 0.83 L3MBTL1 (0.53) L3MBTL1KMT2APOLBALDH1A1KDM4E
SCHEMBL7775216 0.82 ALDH1A1 (0.55) L3MBTL1KMT2APOLBALDH1A1KDM4E

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-5236927-A Reduced toxicity; side effect reduction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-08-17 US disclosed
EP-0204529-B1 ANTI-CANCER QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1993-03-31 EP disclosed
EP-0204529-A2 Anti-cancer quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 1986-12-10 EP disclosed