SCHEMBL9026655

SCHEMBL9026655

COc1cc(C)c(Cl)cc1N(C)c1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NQO1 P15559 1/20 0.33
SHMT2 P34897 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL9025560 0.82 METAP2 (0.40) TSHRMAPTSMN1; SMN2ALDH1A1NQO1
SCHEMBL9025513 0.81 ALDH1A1 (0.50) TSHRMAPTTP53ALDH1A1NQO1
SCHEMBL9025535 0.80 SHMT2 (0.31) SHMT2HTR6
SCHEMBL9026853 0.79 GAA (0.45) TSHRMAPTSMN1; SMN2ALDH1A1NQO1
SCHEMBL9216015 0.78 NQO1 (0.37) TSHRMAPTALDH1A1NQO1EGFR
SCHEMBL9026004 0.78 NQO1 (0.37) TSHRMAPTALDH1A1NQO1HTR2A
SCHEMBL9024891 0.78 NQO1 (0.37) TSHRMAPTSMN1; SMN2ALDH1A1NQO1
SCHEMBL9025087 0.78 ALDH1A1 (0.39) GLATSHRMAPTTP53SMN1; SMN2
SCHEMBL9025461 0.76 TP53 (0.35) TSHRMAPTTP53ALDH1A1MEN1
SCHEMBL9026007 0.76 RAB9A (0.35) TSHRMAPTTP53SMN1; SMN2ALDH1A1

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