SCHEMBL12463180

SCHEMBL12463180

COc1cccc2c1ncc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.54
▸ NQO2 P16083 3/20 0.53
▸ ATP4A P20648 1/20 0.48
▸ ATP4B P51164 1/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ MCHR1 Q99705 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL4552749 0.90 NQO2 (0.46) HPGDSNQO2ATP4AATP4BKDM4E
SCHEMBL19774331 0.78 KDM4E (0.42) HPGDSATP4AATP4BKDM4EGPR3
SCHEMBL19748987 0.76 KDM4E (0.60) KDM4EGPR3ALDH1A1CYP1A2
SCHEMBL29087044 0.76 PDPK1 (0.55) NQO2KDM4EGPR3ALDH1A1CYP1A2
SCHEMBL29254424 0.76 ALDH1A1 (0.54) HPGDSNQO2ATP4AATP4BHTR1A
SCHEMBL30345130 0.76 ALDH1A1 (0.54) HPGDSNQO2ATP4AATP4BHTR1A
SCHEMBL19007827 0.76 CYP2A6 (0.50) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL16132474 0.75 CCR1 (0.57) HPGDSATP4AATP4BHTR1AADRA1D
SCHEMBL11195641 0.74 NQO2 (0.50) NQO2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8611935 0.74 HPGDS (0.60) HPGDSNQO2MCHR1KDM4EMEN1

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-1365633-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT SAMSUNG MOBILE DISPLAY CO LTD (KR) 2011-07-06 — — EP disclosed
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