SCHEMBL20404992

SCHEMBL20404992

N#Cc1ccc(-c2ccc(-c3cc4ccccc4cc3C(=N)/N=C(\N)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ PARP1 P09874 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ KAT6A Q92794 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SLC22A12 Q96S37 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ MEN1 O00255 1/20 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
SCHEMBL23654924 0.85 POLB (0.33) CYP11B1CYP11B2PARP1POLBMAP4K4
SCHEMBL20406949 0.81 CYP11B2 (0.50) CYP11B1CYP11B2PARP1IRAK4KDM1A
SCHEMBL23655127 0.81 PLAU (0.34) F2PLGPLAUKLKB1PRSS1
SCHEMBL17774305 0.77 PRSS1 (0.49) PARP1POLBKAT6APLAUPRSS1
SCHEMBL20404840 0.76 PDK2 (0.34) PRSS1
SCHEMBL20404836 0.75 PDK2 (0.33) —
SCHEMBL20407032 0.73 APP (0.40) PARP1F2
SCHEMBL20405304 0.73 PRSS1 (0.35) F2PLGPLAUKLKB1PRSS1
SCHEMBL20405316 0.72 PDK2 (0.34) SLC22A12XDH
SCHEMBL20405155 0.72 HDAC3 (0.32) KMT2ACSF1R

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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