SCHEMBL7423008

SCHEMBL7423008

CC(C)(C)OC(=O)N(Cc1ccc(C=NNO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MIF P14174 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GRM2 Q14416 1/20 0.41
KDM1A O60341 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL7355121 0.85 RAB9A (0.46) RAB9ANPC1MAPTKDM4EMIF
SCHEMBL6645546 0.79 MAPT (0.39) RAB9ANPC1MAPTKDM4EMIF
SCHEMBL7944783 0.74 GRM2 (0.44) MAPTLMNAGRM2
SCHEMBL19153416 0.74 AKT1 (0.43) GRM2KDM1AHDAC8HDAC6
SCHEMBL3819098 0.74 AKT1 (0.52) RAB9ANPC1KMT2ALMNAMEN1
SCHEMBL12410847 0.73 LOXL2 (0.50) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL14838597 0.73 NPC1 (0.40) RAB9ANPC1MAPTKDM4EMIF
SCHEMBL2637771 0.73 NPC1 (0.40) RAB9ANPC1MAPTKDM4EMIF
SCHEMBL5846695 0.73 HDAC1 (0.43) GRM2KDM1AHDAC8HDAC6
SCHEMBL2637768 0.73 NPC1 (0.40) RAB9ANPC1MAPTKDM4EMIF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228854-B1 1-BENZAZEPINE DERIVATIVE ANTICOAGULANTS; STROKE PREVENTION COR THERAPEUTICS, INC. 2001-05-08 US disclosed
EP-0994894-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-04-26 EP disclosed
WO-1999007731-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1999-02-18 WO disclosed