SCHEMBL9616232

SCHEMBL9616232

Nc1nccnc1C(=O)OC(=O)c1cnccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
MC4R P32245 1/20 0.49
ADRA1A P35348 1/20 0.49
MC3R P41968 1/20 0.49
KDM4E B2RXH2 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKCI P41743 2/20 0.42
BAZ2B Q9UIF8 1/20 0.41
RECQL P46063 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL29556324 0.84 KDM4E (0.61) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL875263 0.84 KDM4E (0.61) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL28344838 0.78 TSHR (0.62) TSHRADORA3MC4RADRA1AMC3R
Pyrazinoic Acid SCHEMBL9616231 0.77 KDM4E (0.69) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL16328267 0.74 KDM4E (0.53) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL8345410 0.73 CES2 (0.50) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL9563007 0.73 TSHR (0.61) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL552688 0.72 KDM4E (0.55) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL11779790 0.71 KDM4E (0.59) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL28697246 0.70 KDM4E (0.48) TSHRADORA3MC4RADRA1AMC3R

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
US-5118937-A Process and device for the laser desorption of an analyte molecular ions, especially of biomolecules FINNIGAN MAT GMBH (DE) 1992-06-02 US disclosed