SCHEMBL7080277

SCHEMBL7080277

CCO/N=C/c1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
MAPT P10636 1/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 5/20 0.34
CLCN2 P51788 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
IKBKB O14920 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8175837 1.00 TSHR (0.37) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL7081782 0.84 ALDH1A1 (0.36) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL7168941 0.84 ALDH1A1 (0.36) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL16164369 0.84 ALDH1A1 (0.40) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL14921076 0.84 ALDH1A1 (0.40) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL7177098 0.82 TSHR (0.37) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL7177101 0.82 TSHR (0.37) TSHRMAPTLMNAKMT2AMEN1
SCHEMBL14920852 0.81 KDM4A (0.34) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL16163859 0.81 KDM4A (0.34) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL7077658 0.76 SMN1; SMN2 (0.35) TSHRMAPTLMNAKMT2AMEN1

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-0960100-B1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AG (DE) 2003-07-09 EP disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed