SCHEMBL23976134

SCHEMBL23976134

O=C(NC1CCCCC1)C1CN(I)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
EPHX2 P34913 4/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
EPHX1 P07099 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL23975627 0.81 ALDH1A1 (0.54) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24383312 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24606366 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24383487 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL23946128 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24383446 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL23946129 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24202656 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL25123271 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA
SCHEMBL24511381 0.79 MAPT (0.64) ALDH1A1EPHX2MAPK1L3MBTL1LMNA

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