SCHEMBL9375112

SCHEMBL9375112

COc1cccc(-c2csc(NC(=S)N3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.60
KMT2A Q03164 11/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 9/20 0.58
ALDH1A1 P00352 7/20 0.58
HTT P42858 4/20 0.58
LMNA P02545 2/20 0.58
ALOX12 P18054 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL9371161 0.90 ACHE (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9374209 0.90 MAPT (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9370842 0.87 ALDH1A1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9370955 0.86 HDAC3 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9371712 0.84 SIRT5 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9376513 0.84 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9371474 0.83 ACHE (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9376208 0.83 ROCK1 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9370306 0.83 MAOA (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9374511 0.82 GBA1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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