SCHEMBL30068176

SCHEMBL30068176

COc1nc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.53
MAX P61244 2/20 0.53
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MERTK Q12866 1/20 0.44
APP P05067 1/20 0.43
TSHR P16473 2/20 0.41
CASP6 P55212 1/20 0.41
TPMT P51580 1/20 0.41
HTT P42858 1/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1B10 O60218 1/20 0.39

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
SCHEMBL4651273 1.00 MYC (0.53) MYCMAXKDM4EL3MBTL1ALDH1A1
SCHEMBL29231882 0.92 MYC (0.50) MYCMAXKDM4EL3MBTL1ALDH1A1
SCHEMBL31326400 0.89 MYC (0.50) MYCMAXKDM4EL3MBTL1ALDH1A1
SCHEMBL4652551 0.86 MYC (0.44) MYCMAXALDH1A1MERTKHTT
SCHEMBL14348284 0.86 MERTK (0.47) MYCMAXALDH1A1MERTKAPP
SCHEMBL30870967 0.83 MYC (0.47) MYCMAXL3MBTL1ALDH1A1MERTK
SCHEMBL15507763 0.83 MYC (0.47) MYCMAXL3MBTL1ALDH1A1MERTK
SCHEMBL4652365 0.83 MYC (0.56) MYCMAXKDM4EL3MBTL1ALDH1A1
SCHEMBL21494712 0.80 PIN1 (0.55) MYCMAXKDM4EALDH1A1MERTK
SCHEMBL31528961 0.80 MYC (0.45) MYCMAXL3MBTL1ALDH1A1MERTK

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
EP-4337198-A1 POLO LIKE KINASE 4 INHIBITORS Oric Pharmaceuticals, Inc. (US) 2024-03-20 EP disclosed
WO-2022240876-A1 POLO LIKE KINASE 4 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2022-11-17 WO disclosed