SCHEMBL3690243

SCHEMBL3690243

O=C=Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
TSHR P16473 4/20 0.40
TPMT P51580 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
SELL P14151 1/20 0.39
HPGD P15428 1/20 0.39

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
Hydrochloric Acid SCHEMBL28348719 0.98 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL3400680 0.95 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL4023719 0.82 CYP2C19 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3398928 0.80 MIF (0.43) CA12CA1CA2CA7CA9
SCHEMBL5973953 0.80 CA5A (0.43) TSHRALDH1A1MAPTMAPK1TDP1
SCHEMBL9184351 0.80 CYP3A4 (0.39) TSHRMAPK1TDP1CYP3A4CYP1A2
SCHEMBL890379 0.80 MAPK1 (0.41) TSHRMAPK1TDP1CYP3A4TRPA1
SCHEMBL14536665 0.80 CYP3A4 (0.36) LCKTSHRALDH1A1MAPTMAPK1
SCHEMBL4393821 0.79 MAPT (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL3900460 0.78 MIF (0.41) CA12CA1CA2CA7CA9

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
CN-106232213-A There is the composite membrane of holder, manufacture method and the separation assembly thereof comprising poly-(phenylene ether) and amphipathic polymer 沙特基础工业全球技术有限公司 2016-12-14 CN disclosed
WO-2010069854-A2 MODIFIED POLYOLEFIN WAXES BASF SE (DE) 2010-06-24 WO disclosed