SCHEMBL28396997

SCHEMBL28396997

COc1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.44
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NFE2L2 Q16236 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 3/20 0.37

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
SCHEMBL8927714 0.97 APP (0.47) APPMEN1KMT2AALDH1A1CRHBP
SCHEMBL28396276 0.88 APP (0.42) APPMEN1KMT2AALDH1A1CRHBP
SCHEMBL21979758 0.87 ALDH1A1 (0.41) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28882484 0.86 ACHE (0.46) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL9242278 0.85 ALDH1A1 (0.41) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10128556 0.83 CYP1A2 (0.39) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL9427929 0.82 CYP1A2 (0.38) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL8927611 0.82 APP (0.37) APPMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14570743 0.82 ACHE (0.42) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL28262324 0.81 TDP1 (0.43) APPMEN1KMT2AALDH1A1L3MBTL1

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-108929297-B Dianhydride monomer containing asymmetric fluorophore structure and preparation method and application thereof 吉林大学 2020-03-31 — — CN disclosed
CN-108863824-B Diamine monomer containing asymmetric fluorophore structure and preparation method and application thereof 吉林大学 2020-02-07 — — CN disclosed
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