SCHEMBL9491960

SCHEMBL9491960

C=CCN1C(=O)CSC1=[N+]([O-])N=C1SCC(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL9494810 0.80 RECQL (0.34) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9494278 0.77 LMNA (0.52) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9494274 0.77 LMNA (0.52) LMNARECQLALDH1A1MAPTMAPK1
Phosphoric Acid SCHEMBL11090384 0.73 LMNA (0.49) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9494860 0.69 LMNA (0.41) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9494856 0.69 LMNA (0.41) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9492241 0.68 LMNA (0.39) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9492233 0.68 LMNA (0.39) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9147402 0.68 LMNA (0.57) LMNARECQLALDH1A1MAPTMAPK1
SCHEMBL9147397 0.68 LMNA (0.57) LMNARECQLALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5177091-A Rheumatic disorders CIBA-GEIGY CORPORATION (US) 1993-01-05 — — US disclosed
Send feedback