SCHEMBL9370826

SCHEMBL9370826

CN1CCN(C(=S)Nc2nc(-c3ccc(C#N)cc3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOA P21397 10/20 0.50
MAOB P27338 10/20 0.50
ATM Q13315 1/20 0.49
VCP P55072 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
ALK Q9UM73 1/20 0.46
KCNQ1 P51787 1/20 0.45

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
SCHEMBL9370260 0.87 KDM4E (0.61) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL9376545 0.85 KDM4E (0.52) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL9376079 0.85 KMT2A (0.58) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL9370647 0.85 KMT2A (0.54) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL9377156 0.85 ALOX5 (0.46) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL9376501 0.85 KMT2A (0.51) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL9375923 0.85 MAPT (0.53) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL9371420 0.83 ACHE (0.57) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL9370487 0.82 GSTO1 (0.53) LMNASIRT5ALKKCNQ1
SCHEMBL9378444 0.81 MAPT (0.46) KDM4EKMT2AMEN1MAPTLMNA

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