SCHEMBL4014630

SCHEMBL4014630

CC(=O)NNc1cc(C)c(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
S1PR2 O95136 5/20 0.39
ALDH1A1 P00352 1/20 0.38
NNMT P40261 1/20 0.38
ABL1 P00519 1/20 0.36
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 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
SCHEMBL358579 0.83 L3MBTL1 (0.53) GAANNMTABL1MTORKDM4E
SCHEMBL3466637 0.77 MTOR (0.43) ALDH1A1NNMTABL1MTORPOLB
SCHEMBL2147165 0.72 RAB9A (0.49) ALDH1A1KDM4ETSHRNPC1RAB9A
SCHEMBL1460066 0.72 NNMT (0.50) ALDH1A1NNMTABL1MTORTSHR
SCHEMBL30207707 0.72 CNR2 (0.51) ALDH1A1NNMTABL1MTORKDM4E
SCHEMBL2731655 0.72 CNR2 (0.51) ALDH1A1NNMTABL1MTORKDM4E
SCHEMBL21752721 0.71 ALDH1A1 (0.44) GAAATMALDH1A1KDM4EPOLB
SCHEMBL7936580 0.71 ABL1 (0.43) GAAALDH1A1ABL1MTORRAB9A
SCHEMBL4751919 0.71 NNMT (0.37) GAAALDH1A1NNMTABL1MTOR
SCHEMBL1695279 0.70 RAB9A (0.59) GAAATMALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009088103-A1 PYRIDYLAMIDINE COMPOUND OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-07-16 WO disclosed