SCHEMBL28424206

SCHEMBL28424206

CCCCOc1c(OC)cc(-c2cc3cc4nc(c(-c5ccccn5)c5ccc(cc6nc(c(Br)c2[nH]3)C=C6)[nH]5)C=C4)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CBFB Q13951 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL28422362 0.87 STAT3 (0.39) STAT3STAT1ALDH1A1NPC1MAPT
SCHEMBL28418538 0.76 CNR2 (0.35) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28839682 0.74 STAT3 (0.34) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL29140523 0.74 PDE5A (0.37) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL460724 0.71 STAT3 (0.59) STAT3STAT1ALDH1A1NPC1MAPT
SCHEMBL28025879 0.71 STAT3 (0.49) STAT3STAT1NPC1MAPTSMN1; SMN2
SCHEMBL3518268 0.71 STAT3 (0.43) STAT3STAT1ALDH1A1NPC1MAPT
SCHEMBL9582368 0.70 STAT3 (0.57) STAT3STAT1ALDH1A1NPC1MAPT
SCHEMBL3522520 0.68 STAT3 (0.47) STAT3STAT1ALDH1A1NPC1MAPT
SCHEMBL28890811 0.68 STAT3 (0.60) STAT3STAT1ALDH1A1NPC1MAPT

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
CN-111349102-A D-pi-A zinc porphyrin complex, synthesis thereof and application thereof in preparation of dye-sensitized solar cell 西北师范大学 2020-06-30 — — CN claimed
CN-111349102-A D-pi-A zinc porphyrin complex, synthesis thereof and application thereof in preparation of dye-sensitized solar cell 西北师范大学 2020-06-30 — — CN disclosed
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