SCHEMBL21452046

SCHEMBL21452046

Fc1cccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6cccc(F)c6)cc5n(-c5ccc6ccccc6c5)c4cc3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ MAPK9 P45984 2/20 0.31
▸ MAPK10 P53779 2/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ MAT2A P31153 1/20 0.30

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
SCHEMBL23029155 0.93 CYP1A2 (0.34) CYP1A2CYP2A6MAPK9MAPK10MAPK8
SCHEMBL23029146 0.92 PLA2G10 (0.32) MAT2A
SCHEMBL23029029 0.90 RXFP1 (0.34) CYP1A2CYP2A6ABCG2MAT2A
SCHEMBL23029118 0.87 MAPK10 (0.34) MAPK9MAPK10MAPK8
SCHEMBL23029124 0.86 TDP1 (0.36) CYP1A2CYP2A6MAPK9MAPK10MAPK8
SCHEMBL21452045 0.86 PLA2G10 (0.35) CYP1A2MAT2A
SCHEMBL21452036 0.85 KDM4E (0.39) CYP1A2MAT2A
SCHEMBL21452051 0.85 MAPK9 (0.31) MAPK9MAPK10MAPK8
SCHEMBL23029119 0.84 MAT2A (0.38) CYP1A2CYP2A6MAPK8MAT2A
SCHEMBL9913022 0.84 KDM4E (0.38) CYP1A2MAPK9MAPK10MAPK8MAT2A

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-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 — — WO disclosed
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