SCHEMBL19486767

SCHEMBL19486767

C1=C(c2ccc(-c3ccccc3)cc2)NC(c2ccccc2)N=C1c1cc(-c2ccncc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.36
▸ MAPK11 Q15759 3/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK13 O15264 2/20 0.35
▸ GCGR P47871 2/20 0.35
▸ MAPK12 P53778 2/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL19486684 0.88 BRD4 (0.37) TNFALDH1A1NOS2CA12CA1
SCHEMBL19622680 0.86 CA12 (0.40) TNFMAPTKDM4EALDH1A1HPGD
SCHEMBL19486922 0.83 BRD4 (0.39) MAPTKDM4ELMNASMN1; SMN2NOS2
SCHEMBL19486771 0.83 NOTUM (0.35) MAPK11MAPK14MAPTSMN1; SMN2HSD17B10
SCHEMBL17969937 0.82 MAPT (0.36) TNFMAPTKDM4EALDH1A1HPGD
SCHEMBL19486888 0.81 L3MBTL1 (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16716567 0.80 ALDH1A1 (0.38) TNFMAPTKDM4EALDH1A1HPGD
SCHEMBL19531266 0.80 PRKCZ (0.41) TNFPIK3CAROCK2
SCHEMBL19486887 0.78 BRD4 (0.37) NOS2
SCHEMBL17969930 0.78 MEN1 (0.37) MAPTKDM4EALDH1A1HPGDMAPK1

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
WO-2017179809-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-19 — — WO disclosed
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