SCHEMBL8668012

SCHEMBL8668012

Nc1ccc([C](O)c2ccc(N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MASP2 O00187 1/20 0.52
PLAU P00749 1/20 0.52
THPO P40225 1/20 0.52
APEX1 P27695 2/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS3 P35030 1/20 0.50
CYP19A1 P11511 3/20 0.48
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
CA3 P07451 1/20 0.47
THRB P10828 1/20 0.47
CA6 P23280 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL10493685 0.76 MAPT (0.57) MAPTMEN1KMT2AMASP2PLAU
SCHEMBL10933735 0.76 CYP19A1 (0.65) MAPTMEN1KMT2AMASP2PLAU
Aminobenzoic Acid SCHEMBL8249 0.75 TSHR (0.71) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL14137712 0.75 MASP2 (0.48) MAPTMEN1KMT2AMASP2PLAU
Terephthalic Acid SCHEMBL7648718 0.75 TSHR (0.71) MAPTMEN1KMT2AAPEX1ALDH1A1
Terephthalic Acid SCHEMBL9717815 0.75 TSHR (0.71) MAPTMEN1KMT2AAPEX1ALDH1A1
Aminobenzoic Acid SCHEMBL1768920 0.75 TSHR (0.71) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL7167006 0.75 MASP2 (0.48) MAPTMEN1KMT2AMASP2PLAU
Benzene SCHEMBL732721 0.73 MAPT (0.80) MAPTMEN1KMT2ACYP19A1CYP3A4
Aminobenzoic Acid SCHEMBL23121593 0.73 TSHR (0.67) MAPTMEN1KMT2AAPEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846901-A Color-forming compounds and their use in carbonless imaging MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US claimed
US-5846901-A Color-forming compounds and their use in carbonless imaging MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US disclosed
US-5846901-A Color-forming compounds and their use in carbonless imaging MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-12-08 US disclosed