SCHEMBL28103604

SCHEMBL28103604

Cc1cc([N+](=O)[O-])ccc1NCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
CRHBP P24387 5/20 0.64
CRHR2 Q13324 5/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 10/20 0.58
ALPG P10696 1/20 0.57
THRB P10828 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 2/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL9682978 0.87 KMT2A (0.65) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9683660 0.84 MAPT (0.62) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL14003611 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2ACRHBPCRHR2
Hydrochloric Acid SCHEMBL8571676 0.83 MAPT (0.64) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4954687 0.83 MAPT (0.64) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL14003609 0.83 ALDH1A1 (0.60) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4862948 0.83 KMT2A (0.57) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4861926 0.82 ALDH1A1 (0.59) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4862815 0.82 KMT2A (0.56) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3868568 0.82 MAPT (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106053420-A Detection method for 2-methyl-4-nitroaniline in waste water 扬州大学 2016-10-26 CN disclosed