SCHEMBL9369537

SCHEMBL9369537

CC(COC(=O)c1cccc2nnsc12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
GPR139 Q6DWJ6 2/20 0.34
NPC1 O15118 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
SCHEMBL9366399 0.87 PRMT3 (0.39) TSHRALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9367058 0.86 ALDH1A1 (0.39) TSHRALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9085909 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL9087862 0.79 TSHR (0.53) TSHRALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL3746766 0.79 ALDH1A1 (0.54) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL9088671 0.77 MAPK1 (0.36) TSHRALDH1A1HSD17B10SMN1; SMN2TP53
SCHEMBL4203207 0.77 ALDH1A1 (0.55) TSHRALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9366176 0.77 ALDH1A1 (0.38) TSHRALDH1A1KMT2AATMNPC1
SCHEMBL9089945 0.77 NPC1 (0.44) ALDH1A1LMNAHSD17B10SMN1; SMN2MEN1
SCHEMBL7243970 0.77 PKM (0.37) TSHRALDH1A1LMNAHSD17B10SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384890-B1 Agent to protect plants against diseases CIBA GEIGY AG (CH) 1994-03-09 EP claimed
EP-0384890-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP claimed
US-5302607-A Compositions for protecting plants against disease CIBA-GEIGY CORPORATION (US) 1994-04-12 US disclosed
EP-0384890-B1 Agent to protect plants against diseases CIBA GEIGY AG (CH) 1994-03-09 EP disclosed
EP-0384890-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed