SCHEMBL14349232

SCHEMBL14349232

CC(C)(C)COC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
IL18 Q14116 1/20 0.49
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
PAX8 Q06710 1/20 0.45
RORC P51449 3/20 0.45
ABCC9 O60706 2/20 0.44
KCNJ11 Q14654 2/20 0.44
PGR P06401 1/20 0.44

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
SCHEMBL14349323 0.86 LMNA (0.44) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL2033732 0.83 RAB9A (0.56) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL10192058 0.81 NPC1 (0.52) KMT2ALMNAPOLBPKMRAB9A
SCHEMBL14376088 0.80 SMN1; SMN2 (0.61) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL959690 0.80 EGLN2 (0.55) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL14349237 0.79 RAB9A (0.54) MAPTKMT2ALMNAMEN1POLB
SCHEMBL13855057 0.79 NLRP3 (0.49) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL6415967 0.79 SMN1; SMN2 (0.56) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL2088691 0.79 PGR (0.62) MAPTKMT2ALMNAMEN1SAE1
SCHEMBL14375552 0.78 SMN1; SMN2 (0.56) MAPTKMT2ALMNAMEN1SAE1

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