SCHEMBL3824914

SCHEMBL3824914

COc1ccc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
KMT2A Q03164 6/20 0.62
MAPT P10636 3/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 4/20 0.60
HPGD P15428 2/20 0.60
RAF1 P04049 1/20 0.60
MAPK1 P28482 1/20 0.60
GFER P55789 1/20 0.60
PAX8 Q06710 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
VCAM1 P19320 1/20 0.57
NPC1 O15118 1/20 0.56

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
SCHEMBL4818648 0.95 CYP3A4 (0.69) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL10585792 0.92 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL7787627 0.91 TTR (0.58) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL4818681 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL4818707 0.91 TUBB4A (0.62) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL2156946 0.90 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL176357 0.88 TTR (0.68) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL30825381 0.88 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL4337680 0.88 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL8406656 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321440-B Amino phenyl ketone compound and preparation method and application thereof 南方医科大学 2021-09-24 CN disclosed
CN-112321440-A Amino phenyl ketone compound and preparation method and application thereof 南方医科大学 2021-02-05 CN disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
EP-2098226-A1 AKAP-PKA interaction inhibitors for use in the treatment of heart diseases Forschungsverbund Berlin e.V. (DE) 2009-09-09 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
US-5710334-A PENDANT ETHER GROUPS, POLYIMIDES WITH IMPROVED SOLUBILITY, MELT FLOW STABILITY, PROCESSABILITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US disclosed
EP-0572196-B1 Polyimide, and preparation process of same MITSUI TOATSU CHEMICALS (JP) 1997-08-06 EP disclosed
US-5480965-A BASED ON A NOVEL DIAMINO COMPOUND DERIVED FROM BENZOPHENONE STRUCTURE; FIBER REINFORCEMENT MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0572196-A1 Polyimide, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-01 EP disclosed