SCHEMBL26218243

SCHEMBL26218243

CN/C(=C\C(=N)C(F)(F)F)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ TLR7 Q9NYK1 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ P4HTM Q9NXG6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM4 Q14833 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MAPT P10636 2/20 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
SCHEMBL17428034 0.77 MAPK1 (0.55) MAPK1ALDH1A1TLR7LMNAKMT2A
SCHEMBL16751115 0.76 ALDH1A1 (0.48) MAPK1ALDH1A1TOP2ALMNAKMT2A
SCHEMBL24517643 0.75 ALDH1A1 (0.46) MAPK1ALDH1A1TOP2ALMNAKMT2A
SCHEMBL19123335 0.73 ALDH1A1 (0.43) MAPK1ALDH1A1TOP2ALMNAKMT2A
SCHEMBL19450871 0.70 ALDH1A1 (0.43) MAPK1ALDH1A1TOP2ALMNAKMT2A
SCHEMBL14818573 0.70 ALDH1A1 (0.47) ALDH1A1TOP2ALMNAKMT2AMEN1
SCHEMBL6428553 0.70 ALDH1A1 (0.50) ALDH1A1TOP2ALMNAKMT2ACES2
SCHEMBL7748513 0.69 ALDH1A1 (0.42) MAPK1ALDH1A1TLR7LMNAKMT2A
Trifluoroacetic Acid SCHEMBL30663246 0.68 TLR7 (0.52) ALDH1A1TLR7LMNAKMT2ACES2
SCHEMBL30831077 0.67 CES1 (0.59) ALDH1A1TLR7LMNAKMT2AMEN1

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-2023167521-A1 ORGANIC LIGHT-EMITTING COMPOSITE AND METHOD FOR PATTERNING ORGANIC LIGHT-EMITTING THIN FILM COMPRISING SAME, ORGANIC LIGHT-EMITTING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 한양대학교 산학협력단 2023-09-07 — — WO disclosed
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