SCHEMBL8580659

SCHEMBL8580659

CC(=O)Nc1c(C(=O)O)ccc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MYC P01106 1/20 0.36
CYP1A2 P05177 1/20 0.35
KCNJ11 Q14654 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL15285714 0.84 ALDH1A1 (0.41) RXFP1KDM4EHSD17B10NAPRTALDH1A1
SCHEMBL29181923 0.83 RXFP1 (0.39) RXFP1KDM4EHSD17B10NAPRTALDH1A1
SCHEMBL7553080 0.76 ALDH1A1 (0.38) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7828458 0.75 HSD17B10 (0.50) KDM4EHSD17B10NAPRTALDH1A1MEN1
SCHEMBL19729186 0.74 LMNA (0.45) RXFP1KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL8578153 0.73 ALDH1A1 (0.46) KDM4EHSD17B10NAPRTALDH1A1MEN1
SCHEMBL607237 0.72 CYP1A2 (0.48) KDM4EALDH1A1CYP1A2CA1CA2
SCHEMBL4601967 0.71 MEN1 (0.50) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL30777877 0.71 MYC (0.56) KDM4EHSD17B10NAPRTALDH1A1MEN1
SCHEMBL8578051 0.71 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998011438-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF TREGA BIOSCIENCES, INC. (US) 1998-03-19 WO disclosed
WO-1997010221-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-03-20 WO disclosed