SCHEMBL28292609

SCHEMBL28292609

CCOC(=O)C(N)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
KCNH2 Q12809 1/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PSIP1 O75475 1/20 0.38
TPSAB1 Q15661 6/20 0.38
PRSS1 P07477 2/20 0.38
PLG P00747 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP8 P22894 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL10599023 0.89 KCNH2 (0.44) KCNH2KDM4EMMP8CA12CA1
SCHEMBL27354703 0.84 MMP8 (0.49) LOXL2F2F10PSIP1TPSAB1
SCHEMBL4035085 0.84 MEN1 (0.46) KCNH2KDM4ESMN1; SMN2MMP8PIN1
SCHEMBL3314146 0.83 ESR1 (0.40) KCNH2F2F10MMP8CA12
SCHEMBL13884372 0.83 EPHX1 (0.45) LOXL2TPSAB1PRSS1PLG
SCHEMBL29503075 0.82 ESR1 (0.52) KCNH2KDM4ESMN1; SMN2CA12CA1
SCHEMBL29401252 0.82 ESR1 (0.52) KCNH2KDM4ESMN1; SMN2CA12CA1
SCHEMBL10144789 0.82 ESR1 (0.52) KCNH2KDM4ESMN1; SMN2CA12CA1
SCHEMBL9723093 0.81 CA12 (0.50) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL512726 0.81 MAPT (0.46) KDM4ESMN1; SMN2

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-109574906-A A kind of preparation method of 3,3 '-two Indoleacetic esters 兰州大学 2019-04-05 CN disclosed