SCHEMBL23400486

SCHEMBL23400486

Cc1ccccc1-c1c[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
VHL P40337 1/20 0.38
TP53 P04637 2/20 0.37
NOTUM Q6P988 1/20 0.36
HTR7 P34969 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP2 O95551 1/20 0.35
KDM5A P29375 1/20 0.34
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL23399793 0.81 GAA (0.44) BRD4MAPTHTTSMN1; SMN2LMNA
SCHEMBL23400010 0.79 GAA (0.35) ALDH1A1GAACYP2C9CYP2C19KMT2A
SCHEMBL23402681 0.79 BRD4 (0.50) BRD4MAPTALDH1A1VHLTP53
SCHEMBL23399518 0.76 MEN1 (0.42) BRD4MAPTLMNAALDH1A1GAA
SCHEMBL23403074 0.75 VHL (0.47) BRD4MAPTLMNAALDH1A1GAA
SCHEMBL23401887 0.75 GAA (0.56) BRD4MAPTHTTALDH1A1GAA
SCHEMBL23399861 0.75 BRD4 (0.42) BRD4MAPTALDH1A1VHLTP53
SCHEMBL23399231 0.75 BRD4 (0.42) BRD4MAPTHTTSMN1; SMN2LMNA
SCHEMBL23402882 0.74 KMT2A (0.40) ALDH1A1GAANOTUMTDP2KMT2A
SCHEMBL23403121 0.73 MAPT (0.47) BRD4MAPTHTTSMN1; SMN2LMNA

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