SCHEMBL20198320

SCHEMBL20198320

CC1=C/C(=N\c2ccccc2)C=C/C1=N/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.44
▸ MAPK1 P28482 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MPI P34949 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL4403128 0.79 MAPK1 (0.41) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL755432 0.73 ALDH1A1 (0.47) MAPK1HTTMAPTKDM4EMEN1
SCHEMBL14253725 0.73 TYR (0.37) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL14253711 0.73 TYR (0.37) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL14263525 0.73 PABPC1 (0.36) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL14263516 0.73 MAPT (0.33) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL20198311 0.72 MAPK1 (0.41) PABPC1MAPK1HTTMAPTALDH1A1
SCHEMBL14253696 0.72 SMN1; SMN2 (0.37) PABPC1MAPK1HTTMAPTKDM4E
SCHEMBL3830545 0.72 ALDH1A1 (0.37) MAPK1HTTMAPTMEN1KMT2A
SCHEMBL20198346 0.71 ALOX12 (0.43) MAPK1HTTMAPTKDM4EMEN1

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-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed
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