SCHEMBL30979017

SCHEMBL30979017

CC(C)(C)c1c(Br)ccc[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HDAC8 Q9BY41 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6682646 0.84 HSP90AA1 (0.40) MAPTHTTHSP90AA1LMNA
SCHEMBL30510453 0.79 HTT (0.38) MAPTHTTHSP90AA1LMNA
SCHEMBL25300043 0.79 HTT (0.38) MAPTHTTHSP90AA1LMNA
SCHEMBL2084320 0.71
SCHEMBL11865950 0.70
SCHEMBL11916708 0.69
SCHEMBL15528571 0.67
SCHEMBL29131022 0.67 MAPT (0.38) MAPTHTTHSP90AA1HDAC8LMNA
SCHEMBL29248106 0.64 CA2 (0.38) HTTLMNAALDH1A1
SCHEMBL2616444 0.64 CA2 (0.38) HTTLMNAALDH1A1

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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed