SCHEMBL24196873

SCHEMBL24196873

CCCN[S+]([O-])c1ccc(OC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A3 P47895 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
PARP10 Q53GL7 1/20 0.34
LMNA P02545 1/20 0.34
ACACB O00763 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
NLRP1 Q9C000 1/20 0.33
ACACA Q13085 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24196867 0.81 CTDSP1 (0.37) ALDH1A1KDM4EPOLBKMT2ALMNA
SCHEMBL24904186 0.76 HDAC3 (0.42) ALDH1A1POLBKMT2ALMNAFFAR4
SCHEMBL24196886 0.75 MAPT (0.35) ALDH1A1KMT2ALMNANPSR1MAPT
SCHEMBL24196890 0.75 PTPN1 (0.37) ALDH1A1ACACBMAPTACACASMN1; SMN2
SCHEMBL24196887 0.74 CA2 (0.34) ALDH1A1POLBKMT2ALMNAGAA
SCHEMBL24196865 0.73 SIGMAR1 (0.36) KMT2ALMNAGAAMAPT
SCHEMBL24196877 0.73 ALDH1A1 (0.43) ALDH1A1KMT2APARP10LMNAACACB
SCHEMBL2786249 0.73 ALDH1A3 (0.47) ALDH1A1ALDH1A3POLBKMT2AGLA
SCHEMBL22572707 0.72 HDAC3 (0.44) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL24732442 0.72 MAPT (0.50) ALDH1A1KDM4EALDH1A3POLBKMT2A

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed