SCHEMBL9551024

SCHEMBL9551024

COC(=O)/C(Cl)=C/c1cc(N)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 1/20 0.33
PYGL P06737 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL9551025 1.00 GAA (0.41) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL9305893 0.85 GAA (0.41) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL9305897 0.85 GAA (0.41) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL7018839 0.84 LMNA (0.40) CYP3A4TSHRALDH1A1MAPTMEN1
SCHEMBL7089765 0.84 LMNA (0.40) CYP3A4TSHRALDH1A1MAPTMEN1
SCHEMBL7727183 0.81 CYP3A4 (0.41) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL7727179 0.81 CYP3A4 (0.41) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL9330347 0.80 GAA (0.37) GAACYP3A4TSHRALDH1A1MAPT
SCHEMBL7913985 0.78 MAPT (0.52) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL7913986 0.78 MAPT (0.52) GAAALDH1A1MAPTMEN1KMT2A

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
US-5237089-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5062884-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-11-05 US disclosed