SCHEMBL9412691

SCHEMBL9412691

COC(=O)CCNS(=O)(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PKM P14618 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GNRHR P30968 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
Bromide SCHEMBL9412705 0.90 MEN1 (0.50) ALDH1A1LMNATSHRPKMMEN1
SCHEMBL9412623 0.82 MAPT (0.46) MAPTGAASMN1; SMN2
SCHEMBL9412664 0.80 PDE3B (0.42) ALDH1A1LMNATSHRPKMCNR2
SCHEMBL9412731 0.80 KDM4E (0.52) ALDH1A1MEN1KMT2ARECQLHTT
SCHEMBL9412511 0.79 MAPT (0.45) LMNAMAPTGAAHTTSMN1; SMN2
SCHEMBL9412497 0.79 CNR2 (0.42) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL9412665 0.78 MAPT (0.45) MAPTGAASMN1; SMN2
SCHEMBL9412536 0.77 ITGB3 (0.46) MAPTGAASMN1; SMN2
SCHEMBL9412452 0.77 MAPT (0.44) MAPTGAASMN1; SMN2
SCHEMBL9412685 0.77 ITGB3 (0.38) PKMMAPTSMN1; SMN2HSD17B10

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
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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