SCHEMBL27448802

SCHEMBL27448802

CNc1cccc(C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KIF18A Q8NI77 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
HTR2C P28335 3/20 0.33
PRKCI P41743 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TDO2 P48775 1/20 0.31
AKT1 P31749 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TRIM24 O15164 1/20 0.31
DRD2 P14416 1/20 0.31
BRAF P15056 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
SCHEMBL26898819 0.81 PRKCI (0.43) KIF18AHTR2CPRKCIDRD2BRAF
SCHEMBL15945569 0.80 HTR2C (0.54) SMN1; SMN2ALDH1A1IKBKETBK1HTR2C
SCHEMBL22104134 0.77 HDAC4 (0.43) SMN1; SMN2HTR2CPRKCITDO2TRIM24
SCHEMBL20010986 0.77 SLC6A2 (0.44) IKBKETBK1HTR2CSLC6A4SLC6A3
SCHEMBL731682 0.77 ALDH1A1 (0.39) ALDH1A1IKBKETBK1HTR2C
SCHEMBL5730886 0.77 MGLL (0.40) IKBKETBK1HTR2CDRD2
SCHEMBL2916071 0.77 HTR2C (0.57) SMN1; SMN2ALDH1A1HTR2CDRD2
SCHEMBL5718532 0.77 MGLL (0.40) SMN1; SMN2ALDH1A1IKBKETBK1HTR2C
SCHEMBL16379014 0.76 KMO (0.49) SMN1; SMN2ALDH1A1HTR2CPRKCITDO2
Hydrochloric Acid SCHEMBL27990535 0.76 HDAC4 (0.46) SMN1; SMN2HTR2CPRKCITDO2TRIM24

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-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed