SCHEMBL23600970

SCHEMBL23600970

CN1CCCc2ccc(-c3ccc(C(C)(C)C)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 1/20 0.39
ACHE P22303 1/20 0.36
KIF11 P52732 2/20 0.36
ALOX15 P16050 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
RAB9A P51151 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
WDR5 P61964 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL762014 0.87 ALDH1A1 (0.44) NLRP3HPGDMEN1KMT2AALDH1A1
SCHEMBL23601181 0.83 ALDH1A1 (0.46) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL24721757 0.81 NLRP3 (0.40) NLRP3ALDH1A1NOTUMKIF11SIGMAR1
SCHEMBL762346 0.78 ALDH1A1 (0.55) NLRP3HPGDMEN1KMT2AALDH1A1
SCHEMBL15591986 0.77 NOTUM (0.41) NLRP3HPGDALDH1A1NOTUMALOX15
SCHEMBL13763275 0.75 LMNA (0.56) ALDH1A1MAPTRAB9AHDAC6TP53
SCHEMBL17809604 0.75 KDM1A (0.50) NOTUMWDR5
SCHEMBL22005067 0.72 NOTUM (0.50) MEN1KMT2AALDH1A1NOTUMALOX15
SCHEMBL2616323 0.72 ALDH1A1 (0.60) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL13151196 0.71 NLRP3 (0.42) NLRP3HPGDMEN1KMT2AALDH1A1

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed