SCHEMBL18084271

SCHEMBL18084271

N=NNc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
CYP3A4 P08684 3/20 0.42
HTT P42858 3/20 0.42
ALOX12 P18054 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 4/20 0.41
RAD52 P43351 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
APP P05067 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 3/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL15382623 0.86 CYP1B1 (0.33) TDP1
SCHEMBL18084265 0.84 HTR6 (0.59) MAPTALDH1A1CYP3A4HTTCYP2C9
SCHEMBL18084269 0.82 MAOB (0.50) ALDH1A1CYP3A4TDP1
SCHEMBL15458274 0.82 BRD4 (0.36) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL17705752 0.76 MAPT (0.67) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL11024650 0.74 MAPT (0.42) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL10522288 0.74 NPC1 (0.45) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL20676111 0.74 TSHR (0.43) MAPTALDH1A1CYP3A4APPALOX15
SCHEMBL28706390 0.74 MAPT (0.46) MAPTALDH1A1L3MBTL1CYP3A4HTT
SCHEMBL20867958 0.73 HRH3 (0.44) CA6CA14CA1CA2CA9

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
EP-3064991-A1 LIQUID-CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2016-09-07 EP disclosed