SCHEMBL23401328

SCHEMBL23401328

CC(C)Cc1nn(-c2ccccc2)c(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CACNA1G O43497 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK13 O15264 1/20 0.35

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
SCHEMBL23399014 0.87 HPGD (0.37) CACNA1HALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL23401914 0.86 ALDH1A1 (0.48) ALDH1A1GAAMAPK1L3MBTL1KDM4C
SCHEMBL23401926 0.85 ALDH1A1 (0.40) ALDH1A1GAAMAPK1L3MBTL1GABRA1
SCHEMBL23401487 0.84 USP2 (0.43) ALDH1A1GAAMAPK1L3MBTL1KDM4C
SCHEMBL23402477 0.83 KDM4C (0.51) CACNA1HALDH1A1KDM4CHPGDCYP1A2
SCHEMBL23401952 0.83 CACNA1H (0.50) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23402434 0.83 LMNA (0.38) ALDH1A1L3MBTL1HPGDKDM4EHSD17B10
SCHEMBL23398695 0.81 PDE4A (0.41) ALDH1A1GAAMAPK1L3MBTL1KDM4C
SCHEMBL23401284 0.81 KDM4E (0.39) CACNA1HALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL23398767 0.81 CACNA1H (0.45) CACNA1HALDH1A1GAAMAPK1L3MBTL1

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