SCHEMBL9762630

SCHEMBL9762630

CC(=O)Nc1ccccc1-c1cc(-c2ccccc2NC(C)=O)cc(-c2ccccc2NC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOA P21397 1/20 0.54
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PARP14 Q460N5 2/20 0.50
HDAC1 Q13547 2/20 0.50
POLB P06746 2/20 0.50
APOBEC3A P31941 1/20 0.50
GFER P55789 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL99181 0.88 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL6326388 0.87 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL30804159 0.86 CHRM3 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL17205224 0.86 CHRM3 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL28202307 0.84 DHODH (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL8647664 0.84 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL21522574 0.83 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL5213661 0.83 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL3899331 0.82 CYP2C19 (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA
SCHEMBL13960511 0.82 HDAC1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2MAOA

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-4990421-A High charge generating compound from diazonium salt and aromatic hydroxyamide or imide coupler AGFA-GEVAERT, N.V. (BE) 1991-02-05 US disclosed
EP-0350984-A1 Electrophotographic recording material containing a trisazo dye AGFA-GEVAERT N.V. (BE) 1990-01-17 EP disclosed