SCHEMBL6950216

SCHEMBL6950216

CC1CC(=O)c2c(OC(=O)Nc3ccncc3)coc2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
BUB1 O43683 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MDM2 Q00987 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6942893 0.87 NAMPT (0.40) LMNAACHESMPD3ALDH1A1POLB
SCHEMBL6950893 0.87 GAA (0.47) ALDH1A1GAAMAPT
SCHEMBL6947210 0.81 NTRK3 (0.47) BUB1LMNASMN1; SMN2
SCHEMBL6948327 0.68 HSD17B10 (0.54) LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6948393 0.67 MAPT (0.46) LMNASMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL6948428 0.67 FAAH (0.47) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL6777504 0.65 TYK2 (0.43) BUB1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6947652 0.64 HTR2A (0.34) ALDH1A1
SCHEMBL10013879 0.63 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL351647 0.63 ALDH1A1 (0.47) ALDH1A1MAPT

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-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed