SCHEMBL4716951

SCHEMBL4716951

CC(C)COc1c(C(=O)Nc2cccnc2N)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
CYP2C19 P33261 1/20 0.44
MYC P01106 2/20 0.43
MAX P61244 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
KCNMA1 Q12791 1/20 0.41
AR P10275 1/20 0.41
PELP1 Q8IZL8 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSD P07339 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4718482 0.81 GAA (0.58) NPC1RAB9ASMN1; SMN2MYCMAX
SCHEMBL27613394 0.78 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CRHBPCRHR2
SCHEMBL2668279 0.72 MEN1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL20672346 0.69 TSHR (0.51) NPC1RAB9ASMN1; SMN2CYP2C19KMT2A
SCHEMBL15689544 0.68 CTSD (0.65) SMN1; SMN2CRHBPCRHR2KMT2AMEN1
SCHEMBL5797530 0.68 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MYCMAX
SCHEMBL11995707 0.67 MAPT (0.67) RAB9ASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL30733199 0.67 MAPT (0.67) RAB9ASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL986256 0.67 HTT (0.65) NPC1RAB9ASMN1; SMN2CYP2C19KMT2A
SCHEMBL19929388 0.67 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
EP-1452528-A1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-09-01 EP disclosed