SCHEMBL14369939

SCHEMBL14369939

Cc1cc2nc3c(=O)n(C(C)C)c(=O)nc-3n(C)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 5/20 0.41
▸ RECQL P46063 2/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ NGF P01138 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ GSR P00390 9/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL14399199 0.84 SMN1; SMN2 (0.58) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL14212581 0.75 KDM4E (0.48) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL29375626 0.74 GSR (0.51) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL14176774 0.74 GSR (0.51) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL31300303 0.70 KDM4E (0.65) KDM4EALDH1A1GLAHPGDSMN1; SMN2
Lumiflavin SCHEMBL29516802 0.70 MEN1 (0.76) KDM4EALDH1A1GLAHPGDSMN1; SMN2
Lumiflavin SCHEMBL193713 0.70 MEN1 (0.76) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL27033894 0.69 KDM4E (0.48) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL11307834 0.69 SMN1; SMN2 (0.48) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL11383178 0.69 ALDH1A1 (1.00) KDM4EALDH1A1GLAHPGDSMN1; 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-7282575-B2 Functional peptide nucleic acid monomer and process for producing the same CREDIA JAPAN CO., LTD. (JP) 2007-10-16 — — US disclosed
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