SCHEMBL9026477

SCHEMBL9026477

CN=C(N)N(c1cc2cc(C(C)C)c(C)cc2o1)c1cc(Cl)ccc1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.36
HTT P42858 2/20 0.34
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9025996 0.84 SLC9A1 (0.34) SLC9A1HTTHTR3EHTR3BHTR3A
SCHEMBL9026642 0.81 KMT2A (0.39) SLC9A1HTTHPGDALDH1A1MAPT
SCHEMBL9026470 0.80 HTT (0.35) SLC9A1HTTALDH1A1HTR3EHTR3B
SCHEMBL9025555 0.79 ADORA2A (0.40) SLC9A1GAAHPGDALDH1A1HTR3E
SCHEMBL9026585 0.76 MAPT (0.36) SLC9A1HPGDALDH1A1MAPTMAPK1
SCHEMBL9025299 0.76 SLC9A1 (0.34) SLC9A1HTTGAAHPGDALDH1A1
SCHEMBL9218822 0.75 KMT2A (0.36) SLC9A1HTTHPGDALDH1A1HTR3E
SCHEMBL9026866 0.75 RXFP1 (0.36) SLC9A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9026539 0.75 SLC9A1 (0.37) SLC9A1HTTHPGDALDH1A1ALOX5
SCHEMBL9026467 0.75 MAPK1 (0.35) SLC9A1HTTALDH1A1TDP1MAPT

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
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed