SCHEMBL2539766

SCHEMBL2539766

Cc1cc(C=NNC(=O)c2ccc(O)cc2)oc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 3/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MITF O75030 1/20 0.55
STAT3 P40763 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ESRRG P62508 4/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL8290617 0.81 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL266582 0.75 PKM (0.62) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL266583 0.75 PKM (0.62) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL2538234 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL7715528 0.74 KDM1A (0.39) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL7715533 0.74 KDM1A (0.39) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL7715531 0.74 KDM1A (0.39) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL8291229 0.74 POLB (0.60) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL19283332 0.73 KDM1A (0.74) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL19283331 0.73 KDM1A (0.74) KMT2AMEN1POLBMAPTSMN1; SMN2

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-8044241-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2011-10-25 US disclosed