SCHEMBL9870376

SCHEMBL9870376

COc1cc(OC)nc(-c2cccnc2C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.41
MYC P01106 1/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 1/20 0.39
KMT2A Q03164 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
SCHEMBL10592471 0.87 L3MBTL1 (0.49) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL7842595 0.85 HCRTR1 (0.43) HCRTR1HCRTR2KDM4EALDH1A1ALOX15
SCHEMBL7842597 0.81 GAA (0.40) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL27404062 0.81 ALDH1A1 (0.43) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL28429986 0.78
SCHEMBL8810479 0.77 ALDH1A1 (0.53) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL7814676 0.77 CTSA (0.57) ALDH1A1CYP3A4NPSR1CYP1A2
SCHEMBL3390642 0.77 KDM4E (0.59) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL2405487 0.77 MKNK1 (0.49) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL9694228 0.76 CTSA (0.56) ALDH1A1CYP3A4NPSR1CYP1A2

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-5006155-A Containing triazine or pyrimidine ring RHEINHEIMER JOACHIM (DE) 1991-04-09 US disclosed