SCHEMBL18833894

SCHEMBL18833894

CCCNc1c(N)n(C)c(=O)n(CCCO)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ LMNA P02545 3/20 0.46
▸ PDE4A P27815 3/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCR6 P51684 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ TRPC5 Q9UL62 4/20 0.34
▸ TNF P01375 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL18834573 0.76 TRPC5 (0.51) ALDH1A1TRPC5TP53
SCHEMBL9844934 0.75 KDM4E (0.44) KDM4ELMNAGAAMEN1KMT2A
SCHEMBL18835106 0.73 ALDH1A1 (0.37) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL9546987 0.71 KDM4E (0.57) KDM4ELMNAPDE4APDE4BPDE4C
SCHEMBL18834990 0.68 ALDH1A1 (0.48) LMNAMEN1KMT2AALDH1A1TRPC5
SCHEMBL19969556 0.67 ALDH1A1 (0.46) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL13814943 0.65 ALDH1A1 (0.47) KDM4ELMNAGAAMEN1KMT2A
SCHEMBL1546765 0.63 PDE4A (0.46) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL9844929 0.63 ALDH1A1 (0.51) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL10151084 0.63 ALDH1A1 (0.42) KDM4ELMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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