SCHEMBL11211219

SCHEMBL11211219

CN(CCOC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 11/20 0.45
▸ MTNR1B P49286 11/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL11671961 0.91 LSS (0.43) MTNR1AMTNR1BMEN1KMT2ARAB9A
SCHEMBL11672203 0.91 MTNR1A (0.48) MTNR1AMTNR1BKMT2ARAB9ANPC1
SCHEMBL11671287 0.91 ALDH1A1 (0.43) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL11672283 0.91 MTNR1A (0.42) MTNR1AMTNR1BTDP1ATML3MBTL1
SCHEMBL11670959 0.91 MTNR1A (0.46) MTNR1AMTNR1BTDP1ATML3MBTL1
SCHEMBL11672425 0.90 LMNA (0.50) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL11670240 0.90 MTNR1A (0.48) MTNR1AMTNR1BTDP1ATML3MBTL1
SCHEMBL11669971 0.89 LTA4H (0.47) MTNR1AMTNR1BHTT
SCHEMBL11671273 0.89 RAB9A (0.47) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL11670936 0.88 MTNR1A (0.47) MTNR1AMTNR1B

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
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 — — US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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