SCHEMBL25118673

SCHEMBL25118673

N#Cc1ccccc1-c1ccc(-c2c(-c3ccc4cc(-c5ccc(-c6nc(C7=CC=CCC7)nc(-c7ccccc7)n6)cc5)ccc4c3)ccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SSTR2 P30874 1/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL22065316 0.87 TRPA1 (0.42) ABL1TRPA1KDM4EMAPTMAPK1
SCHEMBL19939330 0.81 ESR2 (0.44) TRPA1KDM4EMAPTMAPK1KMT2A
SCHEMBL19939351 0.81 ESR2 (0.44) TRPA1KDM4EMAPTMAPK1KMT2A
SCHEMBL20405130 0.78 ESR2 (0.43) TRPA1KDM4EMAPTMAPK1KMT2A
SCHEMBL21131896 0.77 CYP1A2 (0.43) KDM4EMAPTMAPK1KMT2AADORA2A
SCHEMBL25023752 0.77 CYP1A2 (0.38) KDM4EMAPTMAPK1KMT2A
SCHEMBL20404926 0.77 ESR2 (0.44) TRPA1KDM4EMAPTMAPK1KMT2A
SCHEMBL22114987 0.76 ABCG2 (0.43) KMT2APIM1GABRG2GABRB3GABRA5
SCHEMBL19942336 0.76 CYP1A2 (0.42) KDM4EMAPTMAPK1KMT2AGABRG2
SCHEMBL19939352 0.76 ESR2 (0.42) TRPA1KDM4EMAPTMAPK1KMT2A

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-4159724-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-04-05 — — EP disclosed
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