SCHEMBL7217546

SCHEMBL7217546

O=C(O)c1ccc(Nc2nc(=O)c3ccccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ ATM Q13315 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ GAA P10253 2/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ DDX3X O00571 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAP2K4 P45985 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7222282 0.86 AKR1C3 (0.71) POLBAKR1C3GAAABCG2DDX3X
SCHEMBL7217136 0.82 POLB (0.52) POLBAKR1C3GAAKDRMEN1
SCHEMBL7224014 0.82 POLB (0.68) POLBAKR1C3GAAMAP2K4
SCHEMBL3767781 0.82 AKR1C3 (0.73) POLBATMAKR1C3GAADDX3X
SCHEMBL29040044 0.80 KDM4E (0.66) POLBATMAKR1C3GAAABCG2
SCHEMBL7223088 0.78 RIPK1 (0.52) POLBGAAMEN1KMT2AKDM4E
SCHEMBL9728941 0.76 NPC1 (0.67) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL3769602 0.75 POLB (0.52) POLBAKR1C3GAADDX3XMEN1
SCHEMBL7456210 0.73 LMNA (0.65) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2929452 0.72 AKR1C3 (0.71) POLBAKR1C3GAADDX3XMEN1

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-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 — — US disclosed
Send feedback