SCHEMBL9706497

SCHEMBL9706497

O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
LMNA P02545 4/20 0.65
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 3/20 0.59
POLB P06746 2/20 0.59
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 1/20 0.57
GFER P55789 1/20 0.55
ROCK1 Q13464 3/20 0.55
ROCK2 O75116 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9371126 0.90 RAB9A (0.64) RAB9ALMNAMAOAMAOBMEN1
SCHEMBL9370565 0.90 RAB9A (0.58) RAB9ALMNAMAOAMAOBMEN1
SCHEMBL9370682 0.89 LMNA (0.72) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL9371423 0.89 RAB9A (0.66) RAB9ALMNAMAOAMAOBMEN1
SCHEMBL9371376 0.87 KMT2A (0.64) RAB9AMAOAMAOBMEN1KMT2A
SCHEMBL9370811 0.85 ROCK1 (0.55) RAB9ALMNAMAOAMAOBMEN1
SCHEMBL9371125 0.84 ROCK1 (0.63) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL9373833 0.84 MAPT (0.67) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL9370967 0.83 ABL1 (0.62) RAB9ALMNAMAOAMAOBMEN1
SCHEMBL9370348 0.83 LMNA (0.61) RAB9ALMNAMEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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