SCHEMBL30337331

SCHEMBL30337331

c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5nsnc45)c4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ APP P05067 1/20 0.31
▸ ENPP1 P22413 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
SCHEMBL30336867 0.97 ALDH1A1 (0.34) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30336668 0.89 GPR84 (0.33) ESR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL711946 0.88 ALDH1A1 (0.41) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18083028 0.86 ALDH1A1 (0.39) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL22931692 0.85 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18083022 0.83 ALDH1A1 (0.37) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL5948188 0.81 ALDH1A1 (0.43) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13658648 0.81 ALDH1A1 (0.43) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL717128 0.81 ALDH1A1 (0.39) ESR1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20288064 0.79 KDM4E (0.38) ESR1KDM4EALDH1A1CYP1A2CYP3A4

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-113451523-B White light organic light emitting diode with full fluorescence emission 太原理工大学 2023-04-18 — — CN disclosed
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