SCHEMBL8840581

SCHEMBL8840581

C=CCOc1nccc(Cl)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX12 P18054 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
GAA P10253 4/20 0.35
MGAM O43451 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35

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
SCHEMBL28136881 0.77 MAOA (0.42) HSD17B10ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL11143431 0.70 MAPT (0.39) MAPTSMN1; SMN2ATMADRA2AADRA2B
SCHEMBL8840614 0.69 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL8840607 0.69 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL29682049 0.69 ALDH1A1 (0.34) HSD17B10ALDH1A1HTR2CTSHR
SCHEMBL7104913 0.69 ALDH1A1 (0.34) HSD17B10ALDH1A1HTR2CTSHR
SCHEMBL11755564 0.69 ALDH1A1 (0.39) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29340145 0.69 HSD17B10 (0.52) HSD17B10ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8373693 0.69 ALDH1A1 (0.46) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL900450 0.67 MAOA (0.48) HSD17B10ALDH1A1SMN1; SMN2HPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed