SCHEMBL13458979

SCHEMBL13458979

c1ccc(-c2ccc(-c3cc(-c4ccc(N5CCOCC5)cc4)nc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(N6CCOCC6)cc5)nc34)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.73
▸ MAPT P10636 5/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ HPGD P15428 4/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ L3MBTL1 Q9Y468 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ AHR P35869 1/20 0.58
▸ RAB9A P51151 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HCRTR1 O43613 1/20 0.57
▸ NPSR1 Q6W5P4 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PLAUR Q03405 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL13458828 0.99 KDM4E (0.74) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL13458945 0.88 MAPK1 (0.56) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL13458735 0.86 MAPK1 (0.57) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL13458946 0.86 MELK (0.55) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL18285499 0.85 KDM4E (0.97) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL17899330 0.81 ACACA (0.50) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL3358457 0.81 ACACA (0.50) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL3358750 0.81 ACACA (0.50) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL3698074 0.81 ACACA (0.50) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL1745982 0.81 ACACA (0.50) KDM4EMAPTALDH1A1HPGDMAPK1

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-2161272-A1 Phenanthrolines BASF SE (DE) 2010-03-10 — — EP disclosed
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