SCHEMBL28794856

SCHEMBL28794856

O=C(O)c1cccc2ccc(Cl)nc12.O=C(O)c1ncc(Cl)c(Cl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ATM Q13315 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPT P10636 2/20 0.36
PLEC Q15149 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
ALK Q9UM73 1/20 0.34
IDO1 P14902 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1032809 0.81 SLC40A1 (0.49) TSHRSLC40A1ALDH1A1LMNAALOX12
Ammonia Solution, Strong SCHEMBL27755207 0.80 SLC40A1 (0.48) TSHRSLC40A1ALDH1A1LMNAALOX12
SCHEMBL21582019 0.77 KMT2A (0.44) ATMALDH1A1LMNAMAPTKMT2A
SCHEMBL27963462 0.77 KMT2A (0.44) ATMALDH1A1LMNAMAPTKMT2A
Dimethylamine SCHEMBL28778830 0.76 SLC40A1 (0.48) TSHRSLC40A1ALDH1A1LMNAALOX12
SCHEMBL27880783 0.75 KMT2A (0.43) ATMALDH1A1LMNAMAPTKMT2A
SCHEMBL27897786 0.75 KMT2A (0.43) ATMALDH1A1LMNAMAPTKMT2A
Methyl Alcohol SCHEMBL27889503 0.73 KMT2A (0.46) ATMALDH1A1LMNAMAPTKMT2A
Isopropylamine SCHEMBL27956733 0.73 PARP1 (0.45) TSHRSLC40A1ALDH1A1LMNAALOX12
Monoethanolamine SCHEMBL27755131 0.72 SLC40A1 (0.42) TSHRSLC40A1ALDH1A1LMNAALOX12

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-102461533-A Mixed herbicide containing cinosulfuron, quinclorac and bensulfuron methyl and application thereof NANJING HUAZHOU PHARMACEUTICAL 2012-05-23 CN disclosed