SCHEMBL19490647

SCHEMBL19490647

BOc1ccccc1/C=N/c1cc(C)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.56
▸ MAPT P10636 12/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ POLB P06746 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ MPI P34949 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL19490686 0.88 MAPT (0.56) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL19490651 0.87 DHODH (0.57) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL19490684 0.84 MAPT (0.54) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL19490831 0.79 CA12 (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL19490683 0.78 PTGS2 (0.48) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL19490832 0.78 MAPT (0.47) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL3365283 0.77 DHODH (0.78) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL802038 0.77 DHODH (0.78) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL3369761 0.76 DHODH (0.76) DHODHMAPTALDH1A1POLBKMT2A
SCHEMBL3369764 0.76 DHODH (0.76) DHODHMAPTALDH1A1POLBKMT2A

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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