SCHEMBL28503567

SCHEMBL28503567

C#CCOc1ccc2[nH]cc(C3=CC(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
PTPRC P08575 1/20 0.45
PTPRF P10586 1/20 0.45
CDC25B P30305 1/20 0.45
GSTP1 P09211 1/20 0.38
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
BACE1 P56817 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CA12 O43570 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
NSD2 O96028 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL28336963 0.83 PTPN1 (0.46) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28508263 0.82 PTPN1 (0.51) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL28506037 0.75 PTPN1 (0.55) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28514484 0.75 PTPN1 (0.55) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28516065 0.75 PTPN1 (0.51) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL9572016 0.74 PTPN1 (0.77) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28738017 0.69 MTNR1A (0.41) GSTP1MAOBCA12CA4CA9
SCHEMBL28503581 0.68 PTPN1 (0.55) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL28906711 0.68 PTPN1 (0.55) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL25057108 0.65 HTR1A (0.72) MEN1KMT2AKDM4ETSHRHTR1A

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-110437124-B Preparation method of indoloquinone derivative 中国科学院成都有机化学有限公司 2020-12-22 CN disclosed