SCHEMBL9371122

SCHEMBL9371122

O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CCOCS1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
RAB9A P51151 3/20 0.58
MAPT P10636 7/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GFER P55789 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ROCK1 Q13464 1/20 0.48
RAF1 P04049 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL9372690 0.89 KMT2A (0.60) RAB9AMAPTMEN1KMT2AGAA
SCHEMBL9371622 0.85 KMT2A (0.62) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9370682 0.85 LMNA (0.72) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9375268 0.85 LMNA (0.57) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9375828 0.85 LMNA (0.57) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9370923 0.85 LMNA (0.56) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9374530 0.83 LMNA (0.58) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL9373642 0.83 GSTO1 (0.54) LMNAMAPTMEN1KMT2AATM
SCHEMBL9371275 0.82 MAPT (0.56) LMNAMAPTMEN1KMT2APOLB
SCHEMBL9370513 0.82 LMNA (0.56) LMNAMAPTMEN1KMT2APOLB

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