SCHEMBL2059682

SCHEMBL2059682

Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 1.00
MEN1 O00255 12/20 1.00
KMT2A Q03164 12/20 1.00
CRHBP P24387 5/20 1.00
CRHR2 Q13324 5/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
ALPG P10696 1/20 0.74
ALDH1A1 P00352 7/20 0.70
POLB P06746 3/20 0.70
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
THRB P10828 1/20 0.65
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL27978261 0.86 MAPT (0.75) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9395569 0.84 MAPT (0.72) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL28427495 0.82 MAPT (0.71) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3750282 0.82 MEN1 (0.70) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL6815029 0.82 KMT2A (0.70) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9395627 0.82 MAPT (0.70) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL10845119 0.81 MAPT (0.70) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL27376900 0.80 MAPT (0.67) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL18610096 0.80 MAPT (0.71) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4212246 0.80 MAPT (1.00) MAPTMEN1KMT2ACRHBPCRHR2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118621447-A N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method thereof 松山湖材料实验室 2024-09-10 CN claimed
CN-117779203-B N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method and application thereof 西北工业大学 2024-05-31 CN claimed
CN-117779203-A N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method and application thereof 西北工业大学 2024-03-29 CN claimed
EP-3620830-B1 OPTICAL ELEMENT AND METHOD OF PRODUCING OPTICAL ELEMENT ARKRAY INC (JP) 2024-01-03 EP claimed
EP-3620830-A1 OPTICAL ELEMENT AND METHOD OF PRODUCING OPTICAL ELEMENT ARKRAY, Inc. (JP) 2020-03-11 EP claimed
US-20200073018-A1 OPTICAL ELEMENT AND METHOD OF PRODUCING OPTICAL ELEMENT ARKRAY, INC. (JP) 2020-03-05 US claimed
US-10481467-B2 Terahertz wave generation apparatus and inspection apparatus RICOH COMPANY, LTD. (JP) 2019-11-19 US claimed
CN-118621447-A N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method thereof 松山湖材料实验室 2024-09-10 CN disclosed
CN-118621447-A N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method thereof 松山湖材料实验室 2024-09-10 CN disclosed
CN-118621447-A N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method thereof 松山湖材料实验室 2024-09-10 CN disclosed
CN-117779203-B N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method and application thereof 西北工业大学 2024-05-31 CN disclosed
CN-117779203-B N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method and application thereof 西北工业大学 2024-05-31 CN disclosed
CN-117779203-B N-benzyl-2-methyl-4-nitroaniline monocrystal and preparation method and application thereof 西北工业大学 2024-05-31 CN disclosed
US-8445875-B2 Optical crystal and terahertz wave generation device and method ARKRAY, INC. (JP) 2013-05-21 US disclosed
EP-2589688-A1 BNA CRYSTAL Riken (JP) 2013-05-08 EP disclosed
US-20130108853-A1 BNA CRYSTAL RIKEN (JP) 2013-05-02 US disclosed
CN-102629065-A Optical crystal and terahertz wave generation device and method ARKRAY INC 2012-08-08 CN disclosed
US-20120193554-A1 Optical Crystal and Terahertz Wave Generation Device and Method ARKRAY, INC. (JP) 2012-08-02 US disclosed
EP-2482127-A2 Optical crystal and terahertz wave generation device and method Arkray, Inc. (JP) 2012-08-01 EP disclosed
JP-2012012236-A BNA CRYSTAL INSTITUTE OF PHYSICAL & CHEMICAL RESEARCH 2012-01-19 JP disclosed