SCHEMBL11758709

SCHEMBL11758709

COC(=O)c1cc(-c2ccc(N)c(C(=O)O)c2)ccc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
KMT2A Q03164 3/20 0.72
GFER P55789 1/20 0.72
RXFP1 Q9HBX9 1/20 0.72
ALDH1A1 P00352 7/20 0.58
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 3/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
CFTR P13569 2/20 0.53
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 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
SCHEMBL7529190 0.93 KDM4E (0.66) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL421466 0.88 IKBKB (0.65) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL11626581 0.86 KDM4E (0.78) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL29498389 0.85 KMT2A (1.00) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL352643 0.85 KMT2A (1.00) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL1954450 0.85 KMT2A (1.00) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL11685663 0.83 KDM4E (0.63) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL1015993 0.83 KDM4E (0.55) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL29481401 0.83 KDM4E (0.55) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL4264458 0.83 ABL1 (0.61) KDM4EKMT2AGFERRXFP1ALDH1A1

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-4053464-A DISAZO PIGMENTS CONTAINING ETHER SUBSTITUTED ALKOXY CARBONYL GROUPS CIBA-GEIGY CORPORATION (US) 1977-10-11 US disclosed