SCHEMBL8370786

SCHEMBL8370786

O=[N+]([O-])c1ccc(NCc2ccccc2)c(CCO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.64
KMT2A Q03164 10/20 0.64
MEN1 O00255 9/20 0.64
GAA P10253 3/20 0.64
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 1/20 0.53
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
TRPA1 O75762 1/20 0.50

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
SCHEMBL27376900 0.84 MAPT (0.67) MAPTKMT2AMEN1GAACRHBP
SCHEMBL27477066 0.82 MAPT (0.65) MAPTKMT2AMEN1GAACRHBP
SCHEMBL6259160 0.82 MITF (0.59) MAPTKMT2AMEN1GAACRHBP
Hydrochloric Acid SCHEMBL2992198 0.81 MITF (0.58) MAPTKMT2AMEN1GAACRHBP
SCHEMBL28427495 0.81 MAPT (0.71) MAPTKMT2AMEN1GAACRHBP
SCHEMBL900753 0.81 MAPT (0.66) MAPTKMT2AMEN1GAACRHBP
SCHEMBL9395569 0.79 MAPT (0.72) MAPTKMT2AMEN1GAACRHBP
SCHEMBL4212246 0.78 MAPT (1.00) MAPTKMT2AMEN1GAACRHBP
SCHEMBL9395627 0.78 MAPT (0.70) MAPTKMT2AMEN1GAACRHBP
SCHEMBL2059682 0.78 MAPT (1.00) MAPTKMT2AMEN1GAACRHBP

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
JP-11012239-A None JP disclosed
JP-H1112239-A PRODUCTION OF 1-(BETA-HYDROXYETHYL)-2,5-DIAMINOBENZENE OR ITS SALT KAO CORP 1999-01-19 JP disclosed