SCHEMBL8102678

SCHEMBL8102678

CC(C)C(C)(C#N)NC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 8/20 0.49
MEN1 O00255 5/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
USP30 Q70CQ3 2/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL7215966 0.92 KMT2A (0.46) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL7220666 0.84 L3MBTL1 (0.57) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL8621979 0.82 RIOK2 (0.46) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL7219751 0.82 HTT (0.54) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15478174 0.75 KMT2A (0.56) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL812153 0.74 ANO1 (0.43) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL7213607 0.73 POLB (0.49) ALDH1A1HPGDKMT2ALMNAKDM4E
SCHEMBL8862625 0.71 ANO1 (0.42) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL14609698 0.71 ANO1 (0.42) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL6869213 0.70 KMT2A (0.66) ALDH1A1HPGDMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9048750-A None JP disclosed
US-6075055-A EXCELLENT FUNGICIDAL ACTIVITIES WITH REGARD TO RICE BLAST AND THE LIKE, WHILE AT THE SAME TIME DO NOT HINDER DESIRABLE PLANT GROWTH KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-13 US disclosed
EP-0854134-B1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KUMAII CHEMICAL INDUSTRY CO LT (JP) 2000-04-26 EP disclosed
EP-0854134-A1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-07-22 EP disclosed
JP-H0948750-A PHENYLALKANOIC ACID AMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE KUMIAI CHEM IND CO LTD 1997-02-18 JP disclosed