SCHEMBL11615792

SCHEMBL11615792

CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MTOR P42345 2/20 0.56
NAMPT P43490 3/20 0.50
POLB P06746 3/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
NPY5R Q15761 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.45
MMP13 P45452 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
AOC3 Q16853 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11614619 0.88 MMP13 (0.58) TSHRMTORNAMPTROCK2ROCK1
SCHEMBL11612243 0.87 MTOR (0.54) TSHRMTORNAMPTROCK2ROCK1
SCHEMBL11613400 0.87 MTOR (0.54) TSHRMTORNAMPTPOLBROCK2
SCHEMBL11615157 0.87 MTOR (0.54) TSHRMTORNAMPTPOLBROCK2
SCHEMBL11168593 0.87 MTOR (0.71) MTORNAMPTROCK2ROCK1NPY5R
SCHEMBL11615678 0.86 MTOR (0.53) TSHRMTORNAMPTPOLBROCK2
SCHEMBL11614065 0.85 LMNA (0.54) TSHRMTORNAMPTROCK2ROCK1
SCHEMBL11616354 0.83 MTOR (0.61) TSHRMTORNAMPTROCK2ROCK1
SCHEMBL11617207 0.82 MAPT (0.63) MTORNAMPTPOLBMEN1KMT2A
SCHEMBL11614038 0.82 ALDH1A1 (0.58) MTORNAMPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed