SCHEMBL142991

SCHEMBL142991

O=C1C=C(c2cccs2)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.55
PTPRC P08575 5/20 0.55
PTPRF P10586 1/20 0.55
CDC25B P30305 1/20 0.55
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
NSD2 O96028 1/20 0.44
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL30821340 0.89 BACE1 (0.44) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL4783918 0.86 BACE1 (0.55) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL8600693 0.78 PTPN1 (0.75) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL28738042 0.75 PTAFR (0.41) PTPN1PTPRCCDC25BALDH1A1HPGD
SCHEMBL8596446 0.71 PTPN1 (0.64) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL6236312 0.71 PTPN1 (1.00) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL29808966 0.71 PTPN1 (1.00) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL17717551 0.69 ALDH1A1 (0.38) ALDH1A1HPGDKMT2AKDM4ECYP3A4
SCHEMBL3951353 0.69 ADORA2A (0.53) CDC25BALDH1A1HPGDHTTKMT2A
SCHEMBL995326 0.69 LTA4H (0.55) ALDH1A1HPGDKMT2AKDM4ECYP3A4

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
EP-2426212-A1 Method for controlling NAD(P)/NAD(P)H ratio by oxidoreductase Md Bioalpha Co., Ltd. (KR) 2012-03-07 EP disclosed