SCHEMBL14492829

SCHEMBL14492829

c1ccc2c(Cn3c4ccccc4c4ccccc43)ccc(Cn3c4ccccc4c4ccccc43)c2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.61
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ P2RX4 Q99571 2/20 0.48
▸ BACE1 P56817 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GPR3 P46089 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL14492832 0.93 CYP19A1 (0.59) CYP19A1CYP1A2CYP2C19P2RX4BACE1
SCHEMBL29093705 0.79 ALDH1A1 (0.62) CYP19A1CYP1A2CYP2C19ALDH1A1
SCHEMBL30616063 0.79 CHRNE (0.63) CYP19A1CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30616072 0.79 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19P2RX4BACE1
SCHEMBL19652294 0.79 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19P2RX4BACE1
SCHEMBL29093697 0.79 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19P2RX4BACE1
SCHEMBL14492825 0.79 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19P2RX4KDM4E
SCHEMBL12683113 0.79 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19P2RX4BACE1
SCHEMBL30616060 0.79 ALDH1A1 (0.62) CYP19A1CYP1A2CYP2C19ALDH1A1
SCHEMBL29093444 0.79 CHRNE (0.63) CYP19A1CYP1A2CYP2C19KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7227027-B2 Carbazole derivative and its use in electroluminescent devices TSINGHUA UNIVERSITY (CH) 2007-06-05 — — US disclosed
US-7227027-B2 Carbazole derivative and its use in electroluminescent devices TSINGHUA UNIVERSITY (CH) 2007-06-05 — — US disclosed
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