SCHEMBL10828801

SCHEMBL10828801

CCOC(=O)CC[C@@H](NC(=O)c1ccc(N)cc1C)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DHFR P00374 3/20 0.42
PPID Q08752 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL10828794 1.00 L3MBTL1 (0.56) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL27519961 0.88 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6448822 0.88 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556474 0.88 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9556468 0.88 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL6448813 0.88 L3MBTL1 (0.53) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL8320541 0.85 L3MBTL1 (0.59) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL9601970 0.85 L3MBTL1 (0.59) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL1143549 0.85 L3MBTL1 (0.59) L3MBTL1KMT2APOLBKDM4EALDH1A1
SCHEMBL10828876 0.82 MAPT (0.54) L3MBTL1KMT2APOLBKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564616-A Anti-cancer quinazoline derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-14 US disclosed
EP-0031237-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-CANCER AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP disclosed
US-4447608-A ANTITUMOR AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-05-08 US disclosed
EP-0031237-A1 Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-07-01 EP disclosed