SCHEMBL11269478

SCHEMBL11269478

CCOC(=O)C1CCCCN1CC(=O)Nc1nc2cc3nc(NC(=O)CN4CCCCC4C(=O)OCC)sc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ CLK1 P49759 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPY4R P50391 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL11256488 0.83 ALDH1A1 (0.53) KDM4ECLK1ALDH1A1TSHRNPY4R
SCHEMBL11269060 0.82 KMT2A (0.51) KDM4ECLK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11252930 0.80 CLK1 (0.41) KDM4ECLK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11268003 0.79 CLK1 (0.48) KDM4ECLK1ALDH1A1TSHRNPY4R
SCHEMBL11266555 0.78 ALDH1A1 (0.48) KDM4ECLK1ALDH1A1TSHRNPY4R
SCHEMBL11265296 0.78 TERT (0.48) KDM4ECLK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11272891 0.77 CSNK1D (0.48) KDM4ECLK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11268499 0.75 CLK1 (0.62) KDM4ECLK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11265331 0.75 KDM4E (0.62) KDM4ECLK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11265935 0.74 KDM4E (0.64) KDM4ECLK1ALDH1A1TSHRSMN1; 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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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