SCHEMBL8475006

SCHEMBL8475006

C=CC(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.57
IDO1 P14902 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
EGFR P00533 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7782559 0.81 POLB (0.50) TGM2IDO1NR1H4HDAC1MEN1
SCHEMBL732581 0.81 TGM2 (0.61) TGM2EGFRMAPK1KDM4EMEN1
SCHEMBL732934 0.80 TGM2 (0.81) TGM2MAPK1MEN1ALDH1A1KMT2A
SCHEMBL1695082 0.80 NR1H4 (0.58) IDO1NR1H4HDAC3HDAC4HDAC1
SCHEMBL398955 0.79 HDAC1 (0.57) TGM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL397718 0.79 LMNA (0.56) TGM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL40744 0.79 TGM2 (0.68) TGM2MEN1ALDH1A1CYP3A4HPGD
SCHEMBL27081253 0.79 TRPV1 (0.47) IDO1NR1H4HDAC3HDAC4HDAC1
SCHEMBL6564062 0.78 IDO1 (0.55) IDO1NR1H4HDAC3HDAC4HDAC1
SCHEMBL8081788 0.78 IDO1 (0.59) IDO1NR1H4HDAC3HDAC4HDAC1

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
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed