SCHEMBL27579366

SCHEMBL27579366

CCCCOC(=O)C1=CC=CN(CC(=O)Nc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
PPARA Q07869 1/20 0.39
GPR35 Q9HC97 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27576643 0.82 EPHX1 (0.43) MEN1KMT2ATSHRL3MBTL1HPGD
SCHEMBL3044281 0.78 ESR1 (0.42) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL659989 0.77 MEN1 (0.44) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL27475349 0.75 ALDH1A1 (0.41) MEN1KMT2ATP53ALDH1A1KDM4E
SCHEMBL27573479 0.73 ALDH1A1 (0.43) MEN1KMT2ATP53ALDH1A1KDM4E
SCHEMBL27573192 0.72 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL27473204 0.70 CHRNB2 (0.46) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL27573158 0.69 MAPT (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL23581909 0.69 ESR1 (0.48) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27591883 0.69 TSHR (0.42) MEN1KMT2ATSHRTDP1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1411800-A Cosmetic composition and method TORENTO PHARMACEUTICAL CO LTD (IN) 2003-04-23 CN claimed
CN-1411809-A Usage and composition of pyridine onium derivative for curing application TORENTO PHARMACEUTICAL CO LTD (IN) 2003-04-23 CN disclosed
CN-1411800-A Cosmetic composition and method TORENTO PHARMACEUTICAL CO LTD (IN) 2003-04-23 CN disclosed