SCHEMBL5867182

SCHEMBL5867182

COc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1C1=CCOC=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
IMPDH1 P20839 7/20 0.39
MCHR1 Q99705 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
STK10 O94804 1/20 0.37
SLK Q9H2G2 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
SCHEMBL5867263 0.84 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867279 0.81 IMPDH2 (0.42) IMPDH2IMPDH1
SCHEMBL5867262 0.81 IMPDH2 (0.57) IMPDH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5867244 0.80 IMPDH2 (0.49) IMPDH2KMT2AIMPDH1
SCHEMBL5867204 0.80 IMPDH2 (0.48) IMPDH2IMPDH1POLB
SCHEMBL5867238 0.79 IMPDH2 (0.43) IMPDH2MAPTIMPDH1
SCHEMBL5867197 0.79 IMPDH2 (0.47) IMPDH2IMPDH1
SCHEMBL5867282 0.79 IMPDH2 (0.45) IMPDH2IMPDH1POLB
SCHEMBL5867205 0.79 IMPDH2 (0.46) IMPDH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5867301 0.79 IMPDH2 (0.50) IMPDH2ALDH1A1MEN1KMT2AGAA

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
US-7060720-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-06-13 US disclosed