SCHEMBL5867178

SCHEMBL5867178

COc1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2)ccc1C1=CC=C(C)OC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
IMPDH2 P12268 8/20 0.42
IMPDH1 P20839 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MCHR1 Q99705 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
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
SCHEMBL5867258 0.83 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867277 0.81 IMPDH2 (0.44) IMPDH2IMPDH1KDM4E
SCHEMBL5867257 0.81 IMPDH2 (0.58) ALDH1A1GAAIMPDH2IMPDH1KDM4E
SCHEMBL5867242 0.80 IMPDH2 (0.49) KMT2AIMPDH2IMPDH1
SCHEMBL5867201 0.79 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL5867182 0.79 IMPDH2 (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL5867189 0.79 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL5867202 0.79 IMPDH2 (0.48) ALDH1A1GAAIMPDH2IMPDH1KDM4E
SCHEMBL5867299 0.79 IMPDH2 (0.51) ALDH1A1GAAIMPDH2IMPDH1KDM4E
SCHEMBL5867280 0.79 IMPDH2 (0.46) IMPDH2IMPDH1

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