SCHEMBL9370682

SCHEMBL9370682

O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.72
RAB9A P51151 3/20 0.63
MAPT P10636 7/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
GFER P55789 1/20 0.56
ROCK1 Q13464 2/20 0.55
ROCK2 O75116 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.54
CNR2 P34972 1/20 0.54
ATM Q13315 1/20 0.53
RAF1 P04049 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9706497 0.89 RAB9A (0.65) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9371126 0.88 RAB9A (0.64) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9370765 0.88 KMT2A (0.62) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9371423 0.87 RAB9A (0.66) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9371122 0.85 LMNA (0.61) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9376878 0.84 LMNA (0.79) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9373265 0.84 LMNA (0.79) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9370499 0.84 LMNA (0.79) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9374001 0.84 LMNA (0.78) LMNARAB9AMAPTKMT2AMEN1
SCHEMBL9373833 0.84 MAPT (0.67) LMNARAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589985-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-04-06 EP disclosed
WO-1993000342-A1 2-AMINO-4-ARYL-THIAZOLES WITH ANTIASTHMATIC AND ANTI-INFLAMMATORY ACTIVITIES ON THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-01-07 WO disclosed
EP-0519449-A1 2-Amino-4-aryl thiazoles with antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-23 EP disclosed