SCHEMBL28260376

SCHEMBL28260376

[c]1cccc2cnc3ccccc3c12.[c]1cccc2nc3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ GPR3 P46089 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PDPK1 O15530 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ TOP2A P11388 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ PDGFRB P09619 4/20 0.33
▸ PDGFRA P16234 4/20 0.33

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
SCHEMBL26597 0.88 KDM4E (0.57) KDM4EGPR3MAPTPDPK1CYP1A2
SCHEMBL25265 0.83 ALDH1A1 (0.56) KDM4EALDH1A1GLAHPGDMAPT
SCHEMBL4408 0.75 KDM4E (0.57) KDM4EGPR3ALDH1A1MAPTPDPK1
Toluene SCHEMBL28844214 0.74 ALDH1A1 (0.45) KDM4EALDH1A1GLAHPGDMAPT
SCHEMBL25148 0.71 GPR3 (0.50) KDM4EGPR3MAPTPDPK1TOP2A
Phenanthridine SCHEMBL9768565 0.71 KDM4E (0.80) KDM4EGPR3ALDH1A1GLAHPGD
SCHEMBL7790779 0.71 KDM4E (0.43) KDM4EGPR3ALDH1A1GLAHPGD
SCHEMBL2514608 0.70 KDM4E (0.50) KDM4EGPR3ALDH1A1MAPTPDPK1
SCHEMBL19021034 0.68 KDM4E (0.61) KDM4EGPR3ALDH1A1GLAHPGD
SCHEMBL9479432 0.67 CYP3A4 (0.56) KDM4EALDH1A1MAPTCYP1A2NPC1

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-109020960-A New organic electroluminescent compounds and the organic electroluminescence device using the compound 罗门哈斯电子材料韩国有限公司 2018-12-18 — — CN disclosed
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