SCHEMBL28174445

SCHEMBL28174445

Nc1nc2c3ccccc3c3ccccc3c2nc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TLR7 Q9NYK1 6/20 0.39
TLR8 Q9NR97 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
DCPS Q96C86 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL17503357 0.76 ALDH1A1 (0.57) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL13296163 0.74 ALDH1A1 (0.46) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL14099384 0.72 ALDH1A1 (0.38) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL28039253 0.70 KDM4E (0.39) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL15306134 0.69 ALDH1A1 (0.41) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL11947003 0.69 ALDH1A1 (0.41) MAPTALDH1A1KDM4ETDP1CYP1A2
Triphenylene SCHEMBL28455198 0.68 ALDH1A1 (0.57) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL16231068 0.68 ALDH1A1 (0.38) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL4750622 0.67 ADK (0.40) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL668870 0.66 ALDH1A1 (0.50) MAPTALDH1A1KDM4ETDP1CYP1A2

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
CN-107074896-A Electroluminescent Imidazoquinoxaline Carbene Metal Complexes UDC 爱尔兰有限责任公司 2017-08-18 CN disclosed