SCHEMBL19490651

SCHEMBL19490651

COc1ccccc1/C=N/c1cc(C)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.57
▸ G6PD P11413 1/20 0.47
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 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
SCHEMBL19490647 0.87 DHODH (0.56) DHODHG6PDGAAMAPTALDH1A1
SCHEMBL802038 0.78 DHODH (0.78) DHODHGAAMAPTALDH1A1POLB
SCHEMBL3365283 0.78 DHODH (0.78) DHODHGAAMAPTALDH1A1POLB
SCHEMBL23265029 0.78 MAPT (0.57) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3369764 0.77 DHODH (0.76) DHODHGAAMAPTALDH1A1POLB
Lithium SCHEMBL3369766 0.77 DHODH (0.76) DHODHGAAMAPTALDH1A1POLB
SCHEMBL3369761 0.77 DHODH (0.76) DHODHGAAMAPTALDH1A1POLB
SCHEMBL16210906 0.75 KDM4E (0.57) DHODHGAAMAPTALDH1A1POLB
SCHEMBL16210905 0.75 KDM4E (0.57) DHODHGAAMAPTALDH1A1POLB
SCHEMBL19490686 0.75 MAPT (0.56) DHODHG6PDGAAMAPTALDH1A1

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
Send feedback