SCHEMBL9815972

SCHEMBL9815972

O=c1cnc2c([nH]1)-c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
PTPN13 Q12923 1/20 0.42
KMT2A Q03164 2/20 0.41
USP8 P40818 2/20 0.40
USP7 Q93009 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PAX8 Q06710 2/20 0.38
RAB9A P51151 2/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
RIN1 Q13671 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8908559 0.89 ALDH1A1 (0.53) PTPRCCTSLCTSSPTPN13KMT2A
Ethylene SCHEMBL8908925 0.85 ALDH1A1 (0.50) PTPRCCTSLCTSSPTPN13KMT2A
SCHEMBL8908233 0.81 KMT2A (0.41) PTPRCCTSLCTSSPTPN13KMT2A
SCHEMBL8908230 0.81 KMT2A (0.41) PTPRCCTSLCTSSPTPN13KMT2A
SCHEMBL6237073 0.81 POLB (0.58) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL1888851 0.74 KDM4E (0.52) KMT2AALDH1A1POLBRAB9AGAA
SCHEMBL8907751 0.69 PLK4 (0.45) ALDH1A1TDP2CES1TDO2
SCHEMBL8908304 0.67 SMN1; SMN2 (0.33) KMT2AALDH1A1POLBPAX8RAB9A
SCHEMBL8907382 0.67 S100A4 (0.32) POLBPAX8RAB9AAPAF1S100A4
Anthraquinone SCHEMBL28787967 0.64 ALDH1A1 (0.50) KMT2AALDH1A1POLBRAB9AMEN1

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
JP-3139295-A None JP disclosed
JP-H03139295-A PREVENTION OF SPONTANEOUS SPECIFIC COLORATION OF TRINDER REAGENT INSTRUMENTATION LAB SPA 1991-06-13 JP disclosed