SCHEMBL14376232

SCHEMBL14376232

CN(C)C(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 8/20 0.61
KIF11 P52732 1/20 0.55
MAOA P21397 1/20 0.55
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 2/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL13271380 0.83 MAOA (0.67) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL3234597 0.81 PARP1 (0.67) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL6210190 0.80 IMPDH2 (0.62) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL30571577 0.79 KIF11 (0.86) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL14376207 0.79 KIF11 (0.86) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL3241591 0.79 IMPDH2 (0.74) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL3205039 0.76 TLR8 (0.53) KIF11KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14349303 0.76 KIF11 (0.62) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL13271150 0.76 KDM4E (0.73) IMPDH2KIF11MAOAGAAKDM4E
SCHEMBL16135413 0.76 IMPDH2 (0.57) IMPDH2KIF11MAOAGAAKDM4E

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-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed