SCHEMBL23401487

SCHEMBL23401487

CCCc1nn(-c2ccccc2)c(C(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TSHR P16473 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 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
SCHEMBL23398695 0.92 PDE4A (0.41) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401914 0.88 ALDH1A1 (0.48) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23399369 0.87 TP53 (0.35) USP2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL23403555 0.85 ALDH1A1 (0.40) USP2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL23401328 0.84 CACNA1H (0.41) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23398477 0.83 PDE4D (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL23401601 0.82 ALDH1A1 (0.36) USP2ALDH1A1MAPK1L3MBTL1PTGDR2
SCHEMBL23401002 0.80 USP2 (0.46) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401205 0.80 KDM4C (0.53) USP2ALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23403529 0.79 USP2 (0.45) USP2ALDH1A1GAAMAPK1L3MBTL1

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