SCHEMBL19774331

SCHEMBL19774331

C=COc1cccc2c1ncc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ GPR3 P46089 1/20 0.42
▸ HPGDS O60760 1/20 0.34
▸ HTR1B P28222 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KCNA3 P22001 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL12463180 0.78 HPGDS (0.54) KDM4EGPR3HPGDSALDH1A1HPGD
SCHEMBL194724 0.75 HTR1B (0.46) KDM4EHTR1BKCNA3ALDH1A1HPGD
SCHEMBL29790427 0.75 HTR1B (0.46) KDM4EHTR1BKCNA3ALDH1A1HPGD
SCHEMBL13899918 0.73 HPRT1 (0.52) HTR1BALDH1A1HPGDLMNATDP1
SCHEMBL7869387 0.73 KDM4E (0.53) KDM4ELMNASMN1; SMN2TDP1NPC1
SCHEMBL19748987 0.72 KDM4E (0.60) KDM4EGPR3PIM1ALDH1A1LMNA
SCHEMBL4552749 0.72 NQO2 (0.46) KDM4EGPR3HPGDSATP4AATP4B
SCHEMBL28126835 0.72 KDM4E (0.50) KDM4EGPR3ALDH1A1HPGDLMNA
SCHEMBL29592477 0.70 ADRA2B (0.33) ALDH1A1SMN1; SMN2
SCHEMBL3124235 0.70 ADRA2B (0.33) ALDH1A1SMN1; SMN2

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-3269789-A1 LIGHT EMITTING MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2018-01-17 — — EP disclosed
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