SCHEMBL9345855

SCHEMBL9345855

Cc1c(C(N)=O)c2c(C)c(c1C(N)=O)-c1ccc-2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
SENP1 Q9P0U3 1/20 0.37
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.35
NTRK1 P04629 3/20 0.34
PIM1 P11309 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL14972664 0.85 ALDH1A1 (0.40) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL698685 0.79 GAA (0.47) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL28357204 0.77 GAA (0.49) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL16781055 0.74 POLB (0.55) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL3902580 0.74 GAA (0.46) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL23328032 0.72 MKNK1 (0.41) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL27929951 0.72 POLB (0.36) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL28877315 0.70 CYP3A4 (0.46) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL18740829 0.70 GAA (0.46) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL7406703 0.69 POLB (0.50) ALDH1A1HPGDPOLBKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295017-B1 Aromatic polyamides MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP claimed
US-4921933-A FILMS, STORAGE MODULUS, GLASS TRANSITION TEMPERATURE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-01 US claimed
EP-0295017-A2 Aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-14 EP claimed
EP-0295017-B1 Aromatic polyamides MITSUI TOATSU CHEMICALS (JP) 1994-08-17 EP disclosed
US-4921933-A FILMS, STORAGE MODULUS, GLASS TRANSITION TEMPERATURE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-01 US disclosed
EP-0295017-A2 Aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-12-14 EP disclosed