SCHEMBL23764559

SCHEMBL23764559

C=CC1=C(C=C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)c3cccc1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TGFBR1 P36897 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ NPC1 O15118 2/20 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
SCHEMBL17012400 0.89 KDM4E (0.43) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL17012387 0.83 MAPK1 (0.39) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL16485352 0.82 DHODH (0.38) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL17012369 0.81 KDM4E (0.39) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL17132520 0.81 KDM4E (0.38) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL17012296 0.79 CYP1A2 (0.38) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL16484572 0.79 CYP1A2 (0.38) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL16485353 0.79 KDM4E (0.39) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL17955077 0.79 KDM4E (0.60) MAPK1KDM4ETP53SMN1; SMN2LMNA
SCHEMBL16485343 0.79 HPGDS (0.37) MAPK1KDM4ETP53SMN1; SMN2LMNA

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-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 — — EP disclosed
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