SCHEMBL28422362

SCHEMBL28422362

Brc1c2nc(cc3ccc([nH]3)c(-c3ccccn3)c3nc(cc4ccc1[nH]4)C=C3)C=C2.CCCCOc1c(OC)cccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ CBFB Q13951 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE5A O76074 3/20 0.34
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34

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
SCHEMBL28424206 0.87 STAT3 (0.38) STAT3STAT1SMN1; SMN2CBFBCYP2D6
SCHEMBL460724 0.75 STAT3 (0.59) STAT3STAT1SMN1; SMN2CBFBHPGD
SCHEMBL3518268 0.74 STAT3 (0.43) STAT3STAT1SMN1; SMN2CBFBCYP2D6
SCHEMBL9582368 0.74 STAT3 (0.57) STAT3STAT1SMN1; SMN2CBFBHPGD
SCHEMBL30733335 0.74 STAT3 (0.47) STAT3STAT1CYP3A4LMNAMEN1
SCHEMBL29140523 0.74 PDE5A (0.37) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL3522520 0.72 STAT3 (0.47) STAT3STAT1SMN1; SMN2CBFBHPGD
SCHEMBL14841716 0.71 STAT3 (0.41) STAT3STAT1
SCHEMBL14848833 0.71 STAT3 (0.45) STAT3STAT1SMN1; SMN2CYP3A4HSD17B10
SCHEMBL9425127 0.71 PDE5A (0.41) STAT3STAT1SMN1; SMN2NPC1RAB9A

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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