SCHEMBL14303135

SCHEMBL14303135

O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1Cc1ccc(Br)cc1)c64)C(=O)N(Cc1ccc(Br)cc1)C5=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CYP1B1 Q16678 3/20 0.52
▸ CHRM5 P08912 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ CLTC Q00610 1/20 0.48
▸ TERT O14746 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL14303158 0.85 CA12 (0.55) CA12CA1CA2CA9CYP1B1
SCHEMBL14309282 0.83 CA12 (0.54) CA12CA1CA2CA9CYP1B1
SCHEMBL14303136 0.83 CASP3 (0.58) CA12CA1CA2CA9CYP1B1
SCHEMBL8680716 0.83 NPSR1 (0.65) CA12CA1CA2CA9CYP1B1
SCHEMBL14302830 0.80 CYP1B1 (0.63) CA12CA1CA2CA9CYP1B1
SCHEMBL1270493 0.80 CHRM5 (0.52) CA12CA1CA2CA9CYP1B1
SCHEMBL4651851 0.80 KDM4E (0.68) CA12CA1CA2CA9CHRM5
SCHEMBL30530601 0.80 KDM4E (0.68) CA12CA1CA2CA9CHRM5
SCHEMBL29392718 0.80 KDM4E (0.68) CA12CA1CA2CA9CHRM5
SCHEMBL540079 0.79 CHRM5 (0.68) CA12CA1CA2CA9CYP1B1

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-0977754-B1 WRITABLE AND ERASABLE HIGH-DENSITY OPTICAL STORAGE MEDIA CIBA SC HOLDING AG (CH) 2008-01-16 — — EP disclosed
Send feedback