SCHEMBL28809138

SCHEMBL28809138

CC(Br)(C=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
HSD11B1 P28845 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 6/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
APP P05067 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FBP1 P09467 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL677959 0.83 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL448111 0.82 HSD17B10 (0.50) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL28551166 0.81 HSD17B10 (0.54) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL6671840 0.79 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL1538287 0.79 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL397351 0.79 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL27579582 0.78 HSD11B1 (0.54) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL5180046 0.76 ALDH1A1 (0.52) HSD17B10ACHECA1CA2CA5A
SCHEMBL426201 0.76 HSD17B10 (0.44) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL677900 0.75 HSD17B10 (0.52) HSD17B10ACHEHSD11B1CA1CA2

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-103534241-A Fak inhibitor CANCER THERAPEUTICS CRC PTY LTD 2014-01-22 CN disclosed