SCHEMBL27939697

SCHEMBL27939697

COc1ccc(F)c(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
TBXA2R P21731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCC1 P33527 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
SCHEMBL27804060 0.90 L3MBTL1 (0.39) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL1131379 0.88 MEN1 (0.44) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL3487980 0.86 RAB9A (0.41) MEN1KMT2ARAB9APOLBTDP1
SCHEMBL6543570 0.86 MERTK (0.40) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL27921215 0.85 MEN1 (0.36) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL27782510 0.85 RAB9A (0.33) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL27804048 0.84 HSPB1 (0.37) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL27921211 0.83 ALDH1A1 (0.36) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL27804034 0.83 HSPB1 (0.40) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL27782480 0.82 ABL1 (0.34) MEN1KMT2ARAB9ALMNATDP1

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
CN-101679298-B Fused bicyclic heteroaryl derivatives DAIICHI SANKYO CO LTD 2013-10-23 CN disclosed