SCHEMBL19490684

SCHEMBL19490684

BOc1ccccc1/C=N/c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ MPI P34949 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ LMNA P02545 6/20 0.44
▸ HPGD P15428 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2C9 P11712 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PKM P14618 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ G6PD P11413 1/20 0.39

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
SCHEMBL19490832 0.89 MAPT (0.47) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL19490831 0.88 CA12 (0.52) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL19490686 0.84 MAPT (0.56) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL19490647 0.84 DHODH (0.56) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL18632804 0.80 CA12 (0.41) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL11413951 0.77 ALDH1A1 (0.58) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL19490683 0.77 PTGS2 (0.48) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL19490692 0.76 SMN1; SMN2 (0.63) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL19490943 0.75 SIRT2 (0.46) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL12566830 0.74 MAPT (0.78) MAPTALDH1A1KDM4EL3MBTL1POLB

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-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 — — US disclosed
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