SCHEMBL9370955

SCHEMBL9370955

Nc1cccc(-c2csc(NC(=S)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL9373675 0.90 ROCK1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9370842 0.89 ALDH1A1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9370560 0.89 ROCK1 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9375112 0.86 MEN1 (0.60) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9371712 0.86 SIRT5 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9376208 0.85 ROCK1 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9370306 0.85 MAOA (0.51) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL9370659 0.84 ABL1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9371385 0.84 KDM4E (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9370781 0.84 KMT2A (0.53) MEN1KMT2AMAPTALDH1A1HTT

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