SCHEMBL9374237

SCHEMBL9374237

S=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAOA P21397 4/20 0.45
ABL1 P00519 1/20 0.45
GBA1 P04062 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOB P27338 3/20 0.43
ROCK1 Q13464 1/20 0.43
GSTO1 P78417 1/20 0.43

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
SCHEMBL9370781 1.00 KMT2A (0.53) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL9371472 0.94 KMT2A (0.58) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL9370659 0.90 ABL1 (0.48) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL9371385 0.90 KDM4E (0.47) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL9370399 0.90 SMN1; SMN2 (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL9373675 0.90 ROCK1 (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL9370842 0.90 ALDH1A1 (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL9376396 0.88 ROCK1 (0.56) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL9378618 0.88 ROCK1 (0.56) KMT2AMEN1MAPTHTTMAPK1
SCHEMBL9374688 0.88 KDM4E (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2

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