SCHEMBL23401424

SCHEMBL23401424

CCc1nn(-c2ccccc2C)c(CC(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.37
CACNA1H O95180 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA1 P30542 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 2/20 0.33
PLK1 P53350 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23400812 0.92 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1DHODHCACNA1H
SCHEMBL23399205 0.90 KDM4E (0.38) KDM4EALDH1A1L3MBTL1DHODHCACNA1H
SCHEMBL23400393 0.89 KDM4E (0.41) KDM4EALDH1A1L3MBTL1DHODHCACNA1H
SCHEMBL23400118 0.87 KDM4E (0.37) KDM4EALDH1A1L3MBTL1DHODHCACNA1H
SCHEMBL23400187 0.87 DHODH (0.40) ALDH1A1L3MBTL1DHODHKMT2AHTT
SCHEMBL23402691 0.85 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1KMT2AHTT
SCHEMBL23403100 0.84 KDM4E (0.40) KDM4EALDH1A1L3MBTL1DHODHCACNA1H
SCHEMBL23400705 0.83 DHODH (0.38) ALDH1A1DHODHKMT2AHTTPDE4A
SCHEMBL23402725 0.83 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1CACNA1HKMT2A
SCHEMBL23401081 0.82 CACNA1H (0.48) ALDH1A1L3MBTL1CACNA1HUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed