SCHEMBL16067073

SCHEMBL16067073

O=[N+]([O-])c1ccccc1-c1ccc2c3ccccc3n3c4ccccc4nc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GUSB P08236 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ C1R P00736 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL16067058 0.95 KMT2A (0.52) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL16066438 0.93 KMT2A (0.52) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL16066245 0.93 KMT2A (0.49) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL17033929 0.90 KMT2A (0.45) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10023340 0.81 HPGD (0.54) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL16066278 0.80 KMT2A (0.61) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10023339 0.80 HPGD (0.53) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10023499 0.79 HPGD (0.47) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10023425 0.78 FLT3 (0.47) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL18015553 0.78 KDM4E (0.48) KMT2ARAB9ANPC1CYP1A2CYP3A4

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
WO-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 — — WO disclosed
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