SCHEMBL7093479

SCHEMBL7093479

COc1ccc(NOC(=O)c2ccc(C(=O)ONc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.66
▸ CA2 P00918 5/20 0.66
▸ KMT2A Q03164 6/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ PLK1 P53350 1/20 0.52
▸ CYP2C9 P11712 2/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ PARP4 Q9UKK3 1/20 0.50

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
SCHEMBL27622879 0.91 CA1 (0.59) CA1CA2KMT2AMEN1KDM4E
SCHEMBL27932690 0.91 ALDH1A1 (0.62) CA1CA2KMT2AMEN1KDM4E
SCHEMBL27601330 0.81 NPC1 (0.57) CA1CA2KMT2AMEN1KDM4E
SCHEMBL7092364 0.81 ALDH1A1 (0.78) KMT2AKDM4EMAPTNPC1RAB9A
Methyl 4-Methoxybenzoate SCHEMBL231243 0.80 CA1 (1.00) CA1CA2KMT2AMEN1KDM4E
SCHEMBL5436969 0.79 CA1 (0.81) CA1CA2KMT2AMEN1KDM4E
SCHEMBL17510000 0.79 CA1 (0.68) CA1CA2KMT2AMEN1KDM4E
Methyl 4-Methoxybenzoate SCHEMBL27405603 0.78 CA1 (0.95) CA1CA2KMT2AMEN1KDM4E
SCHEMBL13604055 0.78 CA1 (0.66) CA1CA2KMT2AMEN1KDM4E
SCHEMBL7093801 0.77 ALDH1A1 (0.58) CA1CA2KMT2AMEN1KDM4E

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-1334154-A2 PROCESS FOR MANUFACTURING PIGMENTARY QUINACRIDONES SUN CHEMICAL CORPORATION (US) 2003-08-13 — — EP claimed
WO-2002038680-A2 PROCESS FOR MANUFACTURING PIGMENTARY QUINACRIDONES SUN CHEMICAL CORPORATION (US) 2002-05-16 — — WO claimed
EP-1334154-A2 PROCESS FOR MANUFACTURING PIGMENTARY QUINACRIDONES SUN CHEMICAL CORPORATION (US) 2003-08-13 — — EP disclosed
WO-2002038680-A2 PROCESS FOR MANUFACTURING PIGMENTARY QUINACRIDONES SUN CHEMICAL CORPORATION (US) 2002-05-16 — — WO disclosed
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