SCHEMBL7568041

SCHEMBL7568041

COc1c(Oc2ccccc2)cc(-c2ccncc2)cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.57
▸ FYN P06241 2/20 0.44
▸ MAPK14 Q16539 2/20 0.43
▸ BRAF P15056 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ SQOR Q9Y6N5 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ CHUK O15111 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ PKMYT1 Q99640 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40

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
SCHEMBL7498290 0.76 CYP11B1 (0.45) IKBKBCYP11B1CYP11B2GABRA1GABRG2
SCHEMBL2096573 0.75 PDE4B (0.55) IKBKBFYNSQORMAPTMEN1
SCHEMBL7549309 0.73 IKBKB (0.51) IKBKBMAPK14NOTUMSQORGABRA1
SCHEMBL7576650 0.73 MAPK14 (0.44) IKBKBFYNMAPK14BRAFNOTUM
SCHEMBL7544094 0.73 IKBKB (0.58) IKBKBNOTUMCYP11B1CYP11B2SQOR
SCHEMBL12325398 0.73 PDE4B (0.56) IKBKBFYNSQORMAPTMEN1
Diphenylether SCHEMBL28242079 0.71 NOTUM (0.67) MAPK14NOTUMCYP11B1CYP11B2MAPK13
SCHEMBL17123367 0.68 NOTUM (0.62) IKBKBMAPK14NOTUMCHUKIKBKE
SCHEMBL2094797 0.68 LTA4H (0.56) FYNBRAFTUBB4ATUBBTUBA3C
SCHEMBL7011494 0.68 NOTUM (0.61) MAPK14NOTUMCYP11B1CYP11B2MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885193-A1 TRIARYL COMPOUNDS Novartis AG (CH) 1998-12-23 — — EP disclosed
WO-1997032853-A1 TRIARYL COMPOUNDS NOVARTIS AG (CH) 1997-09-12 — — WO disclosed
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