SCHEMBL8927714

SCHEMBL8927714

COc1ccc(N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.47
▸ XDH P47989 1/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38

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
SCHEMBL28396997 0.97 APP (0.44) APPXDHMEN1KMT2AMAPT
SCHEMBL8927611 0.87 APP (0.37) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL28396276 0.85 APP (0.42) APPXDHMEN1KMT2AMAPT
SCHEMBL21979758 0.84 ALDH1A1 (0.41) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL28882484 0.83 ACHE (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8926480 0.83 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8927301 0.82 APP (0.41) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL9242278 0.82 ALDH1A1 (0.41) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL10128556 0.81 CYP1A2 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9427929 0.80 CYP1A2 (0.38) MEN1KMT2AMAPTALDH1A1KDM4E

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
US-5631404-A DIAMINE COMPOUND SUBSTITUTED WITH PYRENE RING, FLEXIBILITY RICOH COMPANY, LTD. (JP) 1997-05-20 — — US disclosed
US-5489495-A Electrophotographic photoconductor and diamine compounds for use in the same RICHOH COMPANY, LTD. (JP) 1996-02-06 — — US disclosed
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