SCHEMBL13054075

SCHEMBL13054075

CCC(=O)Nc1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
MAPT P10636 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
LCK P06239 9/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 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
SCHEMBL30263006 0.82 KDM4E (0.61) KMT2AMEN1LCKSMN1; SMN2
SCHEMBL24104137 0.81 KMT2A (0.64) RAB9AMAPTKMT2AMEN1LCK
SCHEMBL10600068 0.81 RAB9A (0.81) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL17090573 0.81 LCK (0.69) RAB9AMAPTKMT2AMEN1LCK
SCHEMBL2666847 0.81 DYRK1A (0.67) RAB9ALCK
SCHEMBL29506738 0.81 LCK (0.69) RAB9AMAPTKMT2AMEN1LCK
SCHEMBL31452315 0.80 RAB9A (0.45) RAB9AMAPTKMT2AMEN1LCK
SCHEMBL3943412 0.80 LCK (0.61) RAB9AKMT2AMEN1LCKSMN1; SMN2
SCHEMBL10118217 0.80 RAB9A (0.76) RAB9ALCK
SCHEMBL30263005 0.80 LCK (0.61) RAB9AKMT2AMEN1LCKSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed