SCHEMBL19624623

SCHEMBL19624623

COc1ccccc1/C=N/c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAOB P27338 1/20 0.48
▸ MAPT P10636 6/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ 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
▸ KDM4E B2RXH2 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL19490690 0.85 SIRT2 (0.41) SMN1; SMN2MAOBMAPTDYRK1AKDM4E
SCHEMBL11564421 0.84 KDM4E (0.46) SMN1; SMN2MAOBMAPTKDM4EKMT2A
SCHEMBL17297259 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MAOBMAPTDYRK1AGRIN2D
SCHEMBL5178571 0.82 GRIN2D (0.53) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL9754405 0.82 GRIN2D (0.53) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL31682616 0.82 GRIN2D (0.53) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL23265029 0.81 MAPT (0.57) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL20871094 0.81 MAOB (0.56) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL3082834 0.80 MAOB (0.51) SMN1; SMN2MAOBMAPTGRIN2DGRIN3B
SCHEMBL16620314 0.80 ALDH1A1 (0.47) SMN1; SMN2MAOBMAPTKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371016-B1 ORGANIC LIGHT EMITTING EVICES COMPRISING TRIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2019-08-07 — — EP disclosed
EP-3229288-B1 POLYMER, AND MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME, AND MONOMER THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MAT LTD (CN) 2019-05-01 — — EP disclosed
EP-3246347-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE, COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTAINING THE SAME AND APPLICATION THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2017-11-22 — — EP disclosed
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