SCHEMBL20405155

SCHEMBL20405155

CN(Cc1ccc(-c2cc3ccccc3cc2C(=N)/N=C(\N)c2ccccc2)cc1)c1ccccc1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL20405131 0.88 LTB4R2 (0.32) ACHE
SCHEMBL20405094 0.86 PTGES (0.32) —
SCHEMBL20404851 0.85 GRIN2B (0.36) HDAC3HDAC1HDAC2ACHENCOR2
SCHEMBL23654925 0.85 ACHE (0.34) HDAC3HDAC1HDAC2ACHENCOR2
SCHEMBL24914119 0.84 — —
SCHEMBL24914140 0.81 — —
SCHEMBL20405042 0.81 GRIN2B (0.41) ACHEEGFRCSF1RSMN1; SMN2
SCHEMBL23655120 0.79 — —
SCHEMBL20407097 0.79 — —
SCHEMBL20407032 0.78 APP (0.40) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351537-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-01-18 — — EP disclosed
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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