SCHEMBL9192204

SCHEMBL9192204

Cc1n[nH]c(C)c1OCSC#N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18096491 0.66 HSD17B10 (0.46) ENPP3ALPLENPP1XIAPMEN1
SCHEMBL14074135 0.65 — —
SCHEMBL11588685 0.65 ALDH3A1 (0.34) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL22703490 0.63 IKBKE (0.50) ENPP3ALPLENPP1XIAPMEN1
SCHEMBL11751367 0.63 ALDH3A1 (0.31) —
SCHEMBL2564873 0.62 DYRK1A (0.44) DYRK1AENPP3ALPLENPP1XIAP
SCHEMBL4718347 0.61 KCNH2 (0.54) DYRK1AENPP3ALPLENPP1XIAP
SCHEMBL9194050 0.60 — —
SCHEMBL7691926 0.60 DYRK1A (0.42) DYRK1AENPP3ALPLENPP1XIAP
SCHEMBL9468676 0.59 ALDH3A1 (0.31) —

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
JP-4224563-A — — None — — JP disclosed
EP-0455080-B1 Biocide N-thiocyanatomethoxy-azaheterocycles BASF AG (DE) 1995-12-20 — — EP disclosed
US-5216010-A Bactericides; fungicides; algicides BASF AKTIENGESELLSCHAFT (DE) 1993-06-01 — — US disclosed
JP-H04224563-A N-THIOCYANATOMETHOXY-AZAHETEROCYCLIC COMPOUND AND BIOCIDE INCLUDING THE SAME BASF AG 1992-08-13 — — JP disclosed
EP-0455080-A1 Biocide N-thiocyanatomethoxy-azaheterocycles BASF Aktiengesellschaft (DE) 1991-11-06 — — EP disclosed
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