SCHEMBL9211615

SCHEMBL9211615

COC(=NC#N)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL9211607 1.00 MAPT (0.40) MAPTALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL3455076 0.74 POLB (0.52) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL3455077 0.74 POLB (0.52) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL9218324 0.73 POLB (0.55) MAPTALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL9532175 0.71 SMN1; SMN2 (0.37) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9217151 0.71 CA2 (0.41) MAPTALDH1A1GAAMEN1LMNA
SCHEMBL9532199 0.71 RAB9A (0.38) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9532178 0.71 SMN1; SMN2 (0.37) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9217149 0.71 CA2 (0.41) MAPTALDH1A1GAAMEN1LMNA
SCHEMBL9212689 0.69 RAB9A (0.43) MAPTALDH1A1GAASMN1; SMN2KMT2A

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-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed