SCHEMBL22059560

SCHEMBL22059560

CCN(CC)c1ccc2cc(/C(=N/OC)c3ccc(SC)cc3)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.55
▸ KMT2A Q03164 11/20 0.55
▸ MAPT P10636 10/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 4/20 0.55
▸ MAOB P27338 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ATM Q13315 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SLC16A3 O15427 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55
▸ CYP19A1 P11511 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL22001535 0.90 MEN1 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22059567 0.82 MEN1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22059590 0.80 MEN1 (0.70) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12651747 0.74 CYP19A1 (0.71) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL304258 0.74 MAOB (0.86) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29363687 0.74 MAOB (0.86) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2911015 0.74 MAOB (0.80) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL51872 0.73 MEN1 (0.82) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2028924 0.73 MAOB (0.76) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL42693 0.72 ALDH1A1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1

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
EP-3660008-A1 COUMARIN OXIME ESTER COMPOUND AND PREPARATION AND USE THEREOF Hubei Gurun Technology Co., Ltd (CN) 2020-06-03 — — EP disclosed
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