SCHEMBL24196887

SCHEMBL24196887

CCCN[S+]([O-])c1ccc(CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PLK1 P53350 1/20 0.32
CYP2A6 P11509 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
UCHL1 P09936 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
MAPK1 P28482 2/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
SCHEMBL24196886 0.82 MAPT (0.35) CA2LMNAL3MBTL1ALDH1A1CYP2C9
SCHEMBL24196865 0.80 SIGMAR1 (0.36) TAAR1TP53LMNAL3MBTL1GAA
SCHEMBL24196020 0.80 PRMT6 (0.35) MEN1KMT2A
SCHEMBL15256535 0.80 KDM4E (0.42) LMNAL3MBTL1PLK1ALDH1A1MEN1
SCHEMBL24196900 0.78 HDAC1 (0.37) CA2TP53LMNAL3MBTL1ALDH1A1
SCHEMBL24196866 0.77 MEN1 (0.43) CA2TAAR1LMNAALDH1A1MEN1
SCHEMBL24904186 0.76 HDAC3 (0.42) LMNAL3MBTL1ALDH1A1MEN1POLB
SCHEMBL24196873 0.74 ALDH1A1 (0.36) LMNAALDH1A1MAPK1CYP2C9POLB
SCHEMBL775290 0.72 TP53 (0.43) CA2TAAR1TP53LMNAL3MBTL1
SCHEMBL24196890 0.72 PTPN1 (0.37) ALDH1A1MAPTALOX12TSHRSMN1; SMN2

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