SCHEMBL5232129

SCHEMBL5232129

COCn1ccnc1C(=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRD1 P41143 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
LPO P22079 2/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL4670943 0.83 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL3400913 0.81 CYP1A2 (0.34) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL11536106 0.81 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL3397905 0.79 RAB9A (0.33) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL27788621 0.79 CYP1A2 (0.36) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL8503637 0.78 RAB9A (0.55) SMN1; SMN2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL1078937 0.76 SMN1; SMN2 (0.33) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL4675474 0.76 ALDH1A1 (0.40) CYP1A2TP53HPGD
SCHEMBL13255594 0.74 CYP1A2 (0.33) SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL27472573 0.69 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2CYP3A4CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070068-B2 GRANULATIMIDE DERIVATIVES FOR USE IN CANCER TREATMENT UNIV BRITISH COLUMBIA (CA) 2007-01-17 EP disclosed
EP-1070068-B1 GRANULATIMIDE DERIVATIVES FOR USE IN CANCER TREATMENT UNIV BRITISH COLUMBIA (CA) 2003-10-08 EP disclosed
EP-1070068-A1 GRANULATIMIDE DERIVATIVES FOR USE IN CANCER TREATMENT THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-01-24 EP disclosed
WO-1999047522-A1 GRANULATIMIDE DERIVATIVES FOR USE IN CANCER TREATMENT THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-09-23 WO disclosed