SCHEMBL28816740

SCHEMBL28816740

O=C(c1cccnc1Nc1ccccc1)c1cccnc1Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.81
MEN1 O00255 11/20 0.73
KMT2A Q03164 11/20 0.73
MAPT P10636 7/20 0.73
ALDH1A1 P00352 4/20 0.73
GAA P10253 2/20 0.73
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 4/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AHR P35869 1/20 0.56
LMNA P02545 3/20 0.54
PKM P14618 2/20 0.54
GMNN O75496 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL8694084 0.92 DHODH (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL479877 0.89 DHODH (1.00) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL479805 0.86 DHODH (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL846930 0.86 DHODH (0.76) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL9075528 0.85 MEN1 (1.00) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL5217337 0.83 MEN1 (0.75) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL7281512 0.83 DHODH (0.71) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL28526675 0.83 DHODH (0.71) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL14576189 0.82 DHODH (0.69) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL13196213 0.79 DHODH (0.66) DHODHMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334175-A Alpha 7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC 2015-02-04 CN claimed
CN-104334175-A Alpha 7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC 2015-02-04 CN disclosed