SCHEMBL9305893

SCHEMBL9305893

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 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

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
SCHEMBL9305897 1.00 GAA (0.41) GAACYP3A4TSHRPOLBMAP3K7
SCHEMBL9330347 0.89 GAA (0.37) GAACYP3A4TSHRPOLBMEN1
SCHEMBL9551025 0.85 GAA (0.41) GAACYP3A4TSHRMEN1KMT2A
SCHEMBL9551024 0.85 GAA (0.41) GAACYP3A4TSHRMEN1KMT2A
SCHEMBL9763394 0.83 AKR1C3 (0.42) GAACYP3A4TSHRPOLBMEN1
SCHEMBL9655352 0.79 GAA (0.39) GAACYP3A4TSHRMEN1KMT2A
SCHEMBL9330262 0.79 GAA (0.39) GAACYP3A4TSHRMEN1KMT2A
SCHEMBL9307151 0.78 MAPT (0.52) GAAMEN1KMT2AMAPTMAPK1
SCHEMBL9330263 0.78 ALDH1A1 (0.40) GAACYP3A4TSHRMEN1KMT2A
SCHEMBL9307154 0.78 MAPT (0.52) GAAMEN1KMT2AMAPTMAPK1

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-5296451-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
US-5296452-A Herbicidal 3-(3,4,5,6-tetrahydrophthalimido)-cinnamic esters BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed