SCHEMBL20217403

SCHEMBL20217403

CCCc1ccc(C(N)c2cc(C(=O)NC(CC(C)C)c3ccccc3)ccc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 2/20 0.41
LNPEP Q9UIQ6 3/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20217347 0.73 ALDH1A1 (0.47) TAS1R3TAS1R1LMNAALDH1A1PPARG
SCHEMBL20217615 0.70 CTSA (0.44) TAS1R3TAS1R1LMNAROCK2ROCK1
SCHEMBL20217652 0.70 TAS1R3 (0.40) TAS1R3TAS1R1LMNAPPARG
SCHEMBL20217226 0.69 CYP3A4 (0.44) TAS1R3TAS1R1ALDH1A1PPARGLNPEP
SCHEMBL4173638 0.66 TAS1R3 (0.76) TAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL8040417 0.66 PPARG (0.49) LMNAALDH1A1PPARG
SCHEMBL10318421 0.65 ROCK1 (0.58) TAS1R3TAS1R1ROCK2ROCK1
SCHEMBL2974674 0.65 PPARG (0.51) LMNAALDH1A1PPARG
SCHEMBL4537762 0.65 PPARG (0.48) LMNAALDH1A1PPARGLNPEPMAPT
SCHEMBL20217342 0.65 APLNR (0.49) PPARG

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed