SCHEMBL6970815

SCHEMBL6970815

O=C(NCc1ccco1)Oc1snc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
USP2 O75604 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7875786 0.80 HPGD (0.59) HSD17B10ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10513977 0.72 HSD17B10 (0.59) HSD17B10USP2ALDH1A1HPGDSMN1; SMN2
SCHEMBL18769149 0.72 HSD17B10 (0.67) HSD17B10ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL23498488 0.70 HSD17B10 (0.50) HSD17B10ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9403764 0.68 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL14694017 0.68 ALDH1A1 (0.66) HSD17B10ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL24575916 0.68 EPHX2 (0.83) HSD17B10ALDH1A1HPGDRAB9AKMT2A
SCHEMBL18415483 0.68 POLB (0.77) HSD17B10ALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL23498689 0.68 HSD17B10 (0.47) HSD17B10USP2ALDH1A1HPGDSMN1; SMN2
SCHEMBL14470482 0.68 HSD17B10 (0.72) HSD17B10USP2ALDH1A1HPGDSMN1; SMN2

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
EP-1114038-B1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2003-12-03 EP disclosed
EP-1114038-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2001-07-11 EP disclosed
WO-2000015622-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO disclosed