SCHEMBL23601181

SCHEMBL23601181

Cc1ccc(-c2ccc3c(c2)N(C)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
WDR5 P61964 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2616323 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL23600970 0.83 NLRP3 (0.42) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL23601561 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL23729376 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL17809604 0.78 KDM1A (0.50) NOTUMCYP11B2WDR5CHRM1
SCHEMBL434992 0.77 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL27341781 0.76 NOTUM (0.43) ALDH1A1MAPTHPGDNOTUM
SCHEMBL22005067 0.76 NOTUM (0.50) ALDH1A1KMT2AMEN1NOTUMSMN1; SMN2
SCHEMBL2625792 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AHPGDNOTUMKDM4E
SCHEMBL520908 0.74 BRD4 (0.51) ALDH1A1MAPTKMT2AMEN1GAA

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