SCHEMBL9375978

SCHEMBL9375978

O=C(Nc1nc(-c2ccc(Br)cc2)cs1)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.56
ROCK2 O75116 2/20 0.56
LMNA P02545 2/20 0.50
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAOA P21397 1/20 0.45
HPGD P15428 1/20 0.45
GBA1 P04062 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL9374885 0.93 ROCK1 (0.61) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9376396 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9371112 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9378618 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9374517 0.90 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9371762 0.90 FAAH (0.62) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9370399 0.88 SMN1; SMN2 (0.46) ROCK1ROCK2LMNASMN1; SMN2RAB9A
SCHEMBL9373930 0.88 ROCK1 (0.56) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9374474 0.88 ROCK1 (0.54) ROCK1ROCK2LMNAFAAHCNR2
SCHEMBL9370831 0.88 ACHE (0.55) ROCK1ROCK2LMNAFAAHSMN1; 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