SCHEMBL4742934

SCHEMBL4742934

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1nc(C)cc(C)n1)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PSMD14 O00487 1/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
PDE9A O76083 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4771695 0.92 PDE9A (0.37) SPRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4742957 0.89 GFER (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4743340 0.87 MAPT (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL4771692 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1PSMD14
SCHEMBL4742951 0.86 MAPT (0.37) SPRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4771687 0.86 PDE9A (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1PSMD14
SCHEMBL4742858 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4780174 0.85 GFER (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1PSMD14
SCHEMBL4743003 0.84 RAB9A (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1PSMD14
SCHEMBL4742958 0.83 KDM4E (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E

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-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed