SCHEMBL8965709

SCHEMBL8965709

CO/C=C(/C(=O)O)c1sc(Cl)nc1/C=C/c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GRM4 Q14833 2/20 0.37
P2RX3 P56373 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
TRPA1 O75762 1/20 0.35
HSPD1 P10809 1/20 0.34
TNFRSF1A P19438 1/20 0.34

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
SCHEMBL8966100 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL9075300 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL9076743 0.91 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL8966128 0.86 GRM4 (0.41) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL8966362 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL8965937 0.83 P2RX3 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL9077355 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL9077353 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL8965922 0.79 TRPA1 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL8965811 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA

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-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed