SCHEMBL6579962

SCHEMBL6579962

CC(=O)OCc1nc2cc(Cl)c(CBr)cc2c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 7/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TNF P01375 1/20 0.33
PDE10A Q9Y233 2/20 0.32
BDKRB2 P30411 1/20 0.32
DHODH Q02127 2/20 0.31

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
SCHEMBL6582320 0.86 KDM4E (0.40) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6584578 0.78 KDM4E (0.42) KDM4EALDH1A1
SCHEMBL6584027 0.73 NAMPT (0.55) NAMPT
SCHEMBL8489148 0.70 GAA (0.52) KDM4EHDAC6HDAC8ALDH1A1TNF
SCHEMBL8489042 0.69 GAA (0.40) KDM4EHDAC6HDAC8ALDH1A1TNF
SCHEMBL8489146 0.66 SMN1; SMN2 (0.31) NAMPTALDH1A1
SCHEMBL9389151 0.64 KDM4E (0.42) L3MBTL1KDM4EALOX15TDP1ALDH1A1
SCHEMBL6582992 0.63 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL336664 0.62 CYP4F2 (0.49) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL30038312 0.62 RORC (0.33) KDM4ETDP1

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
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed