SCHEMBL11167209

SCHEMBL11167209

O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.67
▸ CA12 O43570 1/20 0.64
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64
▸ CA9 Q16790 1/20 0.64
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ FAAH O00519 1/20 0.58
▸ MGLL Q99685 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ACHE P22303 1/20 0.51
▸ CES1 P23141 1/20 0.51
▸ MEN1 O00255 1/20 0.51

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
SCHEMBL1691386 0.96 CASP3 (0.68) CASP3CA12CA1CA2CA9
SCHEMBL4424839 0.93 CES2 (0.61) CASP3CA12CA1CA2CA9
SCHEMBL4424799 0.91 CASP3 (0.79) CASP3CA12CA1CA2CA9
SCHEMBL6287318 0.91 RPS6KA2 (0.58) CASP3CA12CA1CA2CA9
SCHEMBL30472950 0.87 CASP3 (0.85) CASP3CA12CA1CA2CA9
SCHEMBL326305 0.87 CASP3 (0.85) CASP3CA12CA1CA2CA9
SCHEMBL4415503 0.87 CHRM5 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL9053599 0.86 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL29820192 0.86 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL18668950 0.86 CES2 (0.67) CASP3CA12CA1CA2CA9

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
US-4370486-A Biphenyl compounds, a process for their preparation and their use as intermediate products for optical brighteners, dyestuffs, plastics and medicaments BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 — — US disclosed
EP-0047877-A2 Biphenyl compounds and process for their preparation BAYER AG (DE) 1982-03-24 — — EP disclosed
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