SCHEMBL9371024

SCHEMBL9371024

O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
ROCK1 Q13464 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9370306 0.91 MAOA (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9370811 0.90 ROCK1 (0.55) KMT2AMEN1MAPTALDH1A1ROCK1
SCHEMBL9371376 0.87 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9371762 0.86 FAAH (0.62) KMT2AMEN1MAPTALDH1A1ROCK1
SCHEMBL9370560 0.86 ROCK1 (0.52) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9370565 0.84 RAB9A (0.58) KMT2AMEN1MAPTALDH1A1ROCK1
SCHEMBL9370325 0.84 KMT2A (0.62) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9374209 0.83 MAPT (0.61) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9371238 0.83 ROCK1 (0.49) MAPTROCK1CSNK2A1
SCHEMBL9375127 0.83 ROCK1 (0.64) KMT2AMEN1MAPTALDH1A1HTT

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