SCHEMBL6138108

SCHEMBL6138108

O=C(O)CNC(=O)Cn1ccc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
NTSR1 P30989 1/20 0.55
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 3/20 0.50
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
GLS O94925 1/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL31602786 0.97 KMT2A (0.65) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL23631570 0.84 KDM4E (0.52) KMT2ANTSR1HSD17B10KDM4EALDH1A1
SCHEMBL31238626 0.83 KMT2A (0.61) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL29420405 0.82 KMT2A (1.00) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL1598786 0.82 KMT2A (1.00) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL31602400 0.82 KDM4E (0.67) KMT2ANTSR1MAPK1KDM4EIDO1
SCHEMBL12605550 0.82 KMT2A (0.59) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL3307080 0.81 KMT2A (0.68) KMT2ANTSR1HSD17B10MAPK1KDM4E
SCHEMBL23631652 0.81 KMO (0.62) KMT2ANTSR1HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL25303352 0.80 KMT2A (0.96) KMT2ANTSR1HSD17B10MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP disclosed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US disclosed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP disclosed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed