SCHEMBL11615157

SCHEMBL11615157

CN(Cc1ccncc1)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.54
NAMPT P43490 6/20 0.49
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPY5R Q15761 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MMP13 P45452 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL11615792 0.87 TSHR (0.63) MTORNAMPTROCK2ROCK1POLB
SCHEMBL11614619 0.87 MMP13 (0.58) MTORNAMPTROCK2ROCK1TSHR
SCHEMBL11613400 0.86 MTOR (0.54) MTORNAMPTROCK2ROCK1POLB
SCHEMBL11612243 0.86 MTOR (0.54) MTORNAMPTROCK2ROCK1MAPT
SCHEMBL11168593 0.85 MTOR (0.71) MTORNAMPTROCK2ROCK1ALDH1A1
SCHEMBL11615678 0.84 MTOR (0.53) MTORNAMPTROCK2ROCK1POLB
SCHEMBL11614065 0.83 LMNA (0.54) MTORNAMPTROCK2ROCK1MAPT
SCHEMBL11616354 0.82 MTOR (0.61) MTORNAMPTROCK2ROCK1MAPT
SCHEMBL11617207 0.81 MAPT (0.63) MTORNAMPTPOLBMAPTALDH1A1
SCHEMBL11614038 0.81 ALDH1A1 (0.58) MTORNAMPTPOLBMAPTALDH1A1

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