SCHEMBL23975594

SCHEMBL23975594

Cc1nnc(N2CCCCCC2)s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 2/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 1/20 0.59
OGA O60502 1/20 0.41
HRH3 Q9Y5N1 8/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14479660 1.00 ALDH1A1 (0.59) ALDH1A1GAAMAPK1HSD17B10OGA
SCHEMBL11518498 0.81 S1PR1 (0.41) ALDH1A1GAAMAPK1HSD17B10OGA
SCHEMBL12263521 0.81 HSD17B10 (0.49) ALDH1A1GAAMAPK1HSD17B10OGA
Hydrochloric Acid SCHEMBL26599735 0.79 S1PR1 (0.40) ALDH1A1GAAMAPK1HSD17B10OGA
SCHEMBL12263529 0.79 PIK3CD (0.46) ALDH1A1GAAOGAHRH3MAPT
SCHEMBL21737951 0.76 ALDH1A1 (0.61) ALDH1A1GAAMAPK1HSD17B10HRH3
SCHEMBL5631018 0.74 ALDH1A1 (1.00) ALDH1A1GAAMAPK1HSD17B10OGA
SCHEMBL11372459 0.74 ALDH1A1 (1.00) ALDH1A1GAAMAPK1HSD17B10OGA
SCHEMBL24702141 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPK1HSD17B10HRH3
SCHEMBL22197894 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPK1HSD17B10HRH3

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
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed