SCHEMBL28548550

SCHEMBL28548550

O=[N+]([O-])c1ccccc1C1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GUSB P08236 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ S100A4 P26447 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL2536323 0.94 ALDH1A1 (0.49) ALDH1A1TDP1MAOBMEN1KMT2A
SCHEMBL27960535 0.82 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL10587139 0.82 MAPK1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8355907 0.82 MAPK1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8347105 0.78 RAB9A (0.50) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL7996476 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28180007 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2517442 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28807262 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27979361 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPC1RAB9A

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-112552901-B Ratio type zinc ion fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 — — CN disclosed
CN-112552901-A Ratio type zinc ion fluorescent probe and preparation and application thereof 浙江大学城市学院 2021-03-26 — — CN disclosed
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