SCHEMBL24608228

SCHEMBL24608228

CCNCCCN(C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
PAOX Q6QHF9 2/20 0.36
HDAC6 Q9UBN7 1/20 0.33
KDM1A O60341 5/20 0.32
SAT1 P21673 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
DNM1 Q05193 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL25915063 0.95 CYP2C19 (0.40) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL24673637 0.93 CYP2C19 (0.39) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL25509805 0.89 CHRNB2 (0.32) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL25828428 0.87 SAT1 (0.36) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL22151226 0.81 KISS1R (0.38) PAOXHDAC6
SCHEMBL22149947 0.80 ADH1B (0.41) MEN1KMT2APAOXHDAC6KDM4E
SCHEMBL23568550 0.80 TSHR (0.37) MEN1KMT2ATSHRPAOXALDH1A1
SCHEMBL22849280 0.80 MEN1 (0.35) MEN1KMT2A
SCHEMBL26018156 0.79 ALDH1A1 (0.45) TSHRPAOXALDH1A1DNM1
SCHEMBL1834013 0.79 PAOX (0.43) CYP2C19MEN1KMT2AGLACYP1A2

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-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed