SCHEMBL30336867

SCHEMBL30336867

c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccccc56)c5nsnc45)c4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ APP P05067 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30

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
SCHEMBL30337331 0.97 ESR1 (0.34) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL22931692 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL30336668 0.86 GPR84 (0.33) ALDH1A1KDM4ECYP1A2CYP2D6MAPT
SCHEMBL18083022 0.86 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL711946 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL5948188 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL18083028 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL5948184 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL13658648 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL5948113 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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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