SCHEMBL19075092

SCHEMBL19075092

C/C=C\C=C(/C)c1cc(-c2cc(-c3ncccn3)cc(-c3cccc4ccccc34)c2)cc(-c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.35
▸ TNF P01375 1/20 0.33
▸ MCL1 Q07820 2/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ DHODH Q02127 2/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL19368645 0.83 MCL1 (0.35) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL19039880 0.81 HTR2C (0.43) HTR2CTNFMCL1ENPP3ENPP1
SCHEMBL19039878 0.77 HTR2C (0.42) HTR2CTNFENPP3ENPP1MAPK1
SCHEMBL19039886 0.76 ALDH1A1 (0.43) HTR2CTNFMCL1ENPP3ENPP1
SCHEMBL19039919 0.76 ALDH1A1 (0.43) HTR2CTNFENPP3ENPP1MAPK1
SCHEMBL23193330 0.74 MCL1 (0.38) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL20670166 0.72 HTR2C (0.42) HTR2CTNFMAPK1HSD17B10KDM4E
SCHEMBL19039895 0.72 MAPT (0.49) HTR2CTNFMCL1MAPK1HSD17B10
SCHEMBL13203217 0.71 MEN1 (0.47) TNFMCL1ENPP3ENPP1MAPK1
SCHEMBL19039898 0.71 MAPT (0.46) HTR2CTNFMCL1MAPK1HSD17B10

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-3188268-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-07-05 — — EP disclosed
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