SCHEMBL6942893

SCHEMBL6942893

CC1CC(=O)c2c(OC(=O)Nc3cccnc3)coc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.40
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
KDM4E B2RXH2 4/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6948327 0.82 HSD17B10 (0.54) NAMPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL6950893 0.81 GAA (0.47) KDM4EALDH1A1
SCHEMBL6947210 0.68 NTRK3 (0.47) NAMPTKDM4EMAPK1LMNAHTT
SCHEMBL6770247 0.68 ALDH1A1 (0.46) NAMPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL1070561 0.66 KDM4E (0.62) NAMPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL30352289 0.66 KDM4E (0.62) NAMPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL349933 0.64 NAMPT (0.80) NAMPTKDM4ELMNAHTT
SCHEMBL29457342 0.64 NAMPT (0.80) NAMPTKDM4ELMNAHTT
SCHEMBL241619 0.64 NPC1 (0.63) NAMPTHSD17B10TP53MAPK1ALDH1A1
SCHEMBL30737600 0.63 NPC1 (0.61) NAMPTHSD17B10TP53LMNAHTT

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