SCHEMBL27965124

SCHEMBL27965124

c1ccc(Oc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.79
HTT P42858 5/20 0.79
NPSR1 Q6W5P4 5/20 0.79
MEN1 O00255 5/20 0.79
LMNA P02545 4/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPT P10636 2/20 0.79
SMN1; SMN2 Q16637 3/20 0.71
ADORA2A P29274 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7914973 0.89 NPSR1 (0.73) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7904930 0.89 NPSR1 (1.00) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7914925 0.89 NPSR1 (0.78) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7913323 0.89 KMT2A (0.73) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7915167 0.89 HTT (0.73) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL3015538 0.89 HTT (0.91) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL3021712 0.87 HTT (0.73) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7913387 0.85 NPSR1 (0.87) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7912126 0.85 KMT2A (0.68) KMT2AHTTNPSR1MEN1LMNA
SCHEMBL7915135 0.85 NPSR1 (0.65) KMT2AHTTNPSR1MEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965255-A Red light-emitting organic electrophosphorescent material iridium complex, its preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-08-06 CN disclosed
CN-103965254-A Red light-emitting organic electrophosphorescent material iridium complex, its preparation method and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-08-06 CN disclosed
CN-103965258-A Red light organic electrophosphorescence material metal iridium coordination compound and preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-08-06 CN disclosed