SCHEMBL8071791

SCHEMBL8071791

CC(N)c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.66
ALPI P09923 1/20 0.66
ALPG P10696 1/20 0.66
IDO1 P14902 2/20 0.50
SCN10A Q9Y5Y9 9/20 0.49
AAK1 Q2M2I8 3/20 0.49
CYP1A2 P05177 1/20 0.47
MPO P05164 1/20 0.47
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8071559 0.87 ALPL (0.49) ALPLALPIALPGIDO1SCN10A
SCHEMBL8071556 0.87 ALPL (0.49) ALPLALPIALPGIDO1SCN10A
SCHEMBL6471271 0.87 ALPL (0.49) ALPLALPIALPGIDO1SCN10A
SCHEMBL14267003 0.86 ALPL (0.70) ALPLALPIALPGIDO1SCN10A
SCHEMBL29438961 0.81 ALPL (0.72) ALPLALPIALPGIDO1CYP1A2
SCHEMBL5100681 0.80 ALDH1A1 (0.57) SCN10ACYP1A2ALDH1A1ALOX15USP2
SCHEMBL580877 0.80 ALDH1A1 (0.57) SCN10ACYP1A2ALDH1A1ALOX15USP2
SCHEMBL5681322 0.80 SCN10A (0.75) IDO1SCN10AAAK1
SCHEMBL24075322 0.79 AAK1 (0.48) ALPLALPIALPGSCN10AAAK1
SCHEMBL5118214 0.79 AAK1 (0.48) ALPLALPIALPGSCN10AAAK1

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
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed