SCHEMBL28295632

SCHEMBL28295632

O=C(Nc1cc(Cl)ccc1O)Nc1cc(Cl)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 12/20 0.68
POLB P06746 1/20 0.68
CHRNA7 P36544 1/20 0.65
NTRK1 P04629 1/20 0.61
CDK19 Q9BWU1 1/20 0.61
GRIK1 P39086 1/20 0.61
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL1883373 0.91 CA12 (0.71) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL1882786 0.89 NTRK1 (0.60) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL7254163 0.89 KCNMA1 (0.60) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL1883575 0.88 GRIK1 (0.70) KCNMA1POLBNTRK1CDK19GRIK1
SCHEMBL9170975 0.86 POLB (0.71) KCNMA1POLBCHRNA7GRIK1CA1
SCHEMBL4358434 0.85 KCNMA1 (0.68) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL1885192 0.85 MEN1 (0.71) POLBCHRNA7NTRK1CDK19CA12
SCHEMBL9792728 0.85 KCNMA1 (0.60) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL7256022 0.84 KCNMA1 (0.55) KCNMA1POLBCHRNA7NTRK1CDK19
SCHEMBL4357763 0.84 KCNMA1 (0.55) KCNMA1POLBCHRNA7NTRK1CDK19

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-109704982-B Preparation method of eltrombopag intermediate 2-hydroxy-3- (m-carboxyphenyl) aniline 上海天慈国际药业有限公司 2021-09-07 CN disclosed
CN-109704982-A A kind of preparation method of eltrombopag olamine intermediate 2- hydroxyl -3- (carboxyl phenyl) aniline 上海天慈国际药业有限公司 2019-05-03 CN disclosed