SCHEMBL24098444

SCHEMBL24098444

C=N/C(=C\C=C(/C)C#N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL22071486 0.80 CES2 (0.34) ALDH1A1POLBCYP1A2MAPTRAB9A
SCHEMBL2945266 0.77 PDE4A (0.41) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL2945263 0.77 PDE4A (0.41) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL7759160 0.77 KDM1A (0.38) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL22109788 0.75 ATM (0.40) ALDH1A1CYP1A2MAPTRAB9AKMT2A
SCHEMBL22593319 0.75 ELANE (0.33) MAPK1L3MBTL1LMNA
SCHEMBL14959965 0.75 POLB (0.34) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL24975608 0.73 AKT1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL19300441 0.72 AKT1 (0.38) ALDH1A1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL19101609 0.72 TSHR (0.32) ALDH1A1POLBCYP2C19MAPTRAB9A

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-3923364-A1 ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2021-12-15 — — EP disclosed
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