SCHEMBL9370973

SCHEMBL9370973

S=C(Nc1nc(-c2cccnc2)cs1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.55
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RECQL P46063 2/20 0.51
ALDH1A1 P00352 6/20 0.48
PKM P14618 3/20 0.48
POLB P06746 1/20 0.48
ESR2 Q92731 1/20 0.48
ROCK2 O75116 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
VCP P55072 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL9376208 0.93 ROCK1 (0.51) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9370276 0.89 ROCK1 (0.70) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9374316 0.88 MAPT (0.53) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9370746 0.85 MAPT (0.53) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9371472 0.83 KMT2A (0.58) ROCK1MAPTSMN1; SMN2ALDH1A1ROCK2
SCHEMBL9371068 0.83 MEN1 (0.48) MAPTSMN1; SMN2RECQLALDH1A1MEN1
SCHEMBL9376840 0.83 MEN1 (0.54) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9375127 0.82 ROCK1 (0.64) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9373421 0.82 SMN1; SMN2 (0.51) ROCK1MAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL9370384 0.82 MEN1 (0.47) ROCK1MAPTSMN1; SMN2RECQLALDH1A1

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