SCHEMBL9768929

SCHEMBL9768929

Nc1ccc(C(=O)O)c(N)c1.Nc1ccc(N)c(C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.81
KMT2A Q03164 5/20 0.81
MAPT P10636 5/20 0.81
MEN1 O00255 4/20 0.81
THRB P10828 3/20 0.81
RECQL P46063 2/20 0.81
MCL1 Q07820 2/20 0.81
POLB P06746 2/20 0.81
USP2 O75604 1/20 0.81
PKM P14618 1/20 0.81
APEX1 P27695 1/20 0.81
BLM P54132 1/20 0.81
KDM4E B2RXH2 9/20 0.59
GFER P55789 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 8/20 0.57
CYP3A4 P08684 3/20 0.57
ALOX15 P16050 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57

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
SCHEMBL107833 0.92 KMT2A (0.95) TDP1KMT2AMAPTMEN1THRB
SCHEMBL715406 0.92 KDM4E (0.65) TDP1KMT2AMAPTMEN1THRB
Ammonia Solution, Strong SCHEMBL6030557 0.90 KDM4E (0.63) TDP1KMT2AMAPTMEN1THRB
SCHEMBL6030346 0.90 KDM4E (0.63) TDP1KMT2AMAPTMEN1THRB
Hydrochloric Acid SCHEMBL864766 0.90 KMT2A (1.00) TDP1KMT2AMAPTMEN1THRB
Trimethylammonium SCHEMBL6742487 0.84 KDM4E (0.57) TDP1KMT2AMAPTMEN1THRB
Aminobenzoic Acid SCHEMBL3357490 0.82 KDM4E (0.55) TDP1KMT2AMAPTMEN1THRB
SCHEMBL8716259 0.82 MAPT (0.55) TDP1KMT2AMAPTMEN1THRB
SCHEMBL29091434 0.82 TDP1 (0.70) TDP1KMT2AMAPTMEN1THRB
SCHEMBL28487397 0.81 KMT2A (0.75) TDP1KMT2AMAPTMEN1THRB

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
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed