SCHEMBL11289412

SCHEMBL11289412

CCCc1ncnc(NCCOc2ccc(C)cc2C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 4/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HTR1A P08908 1/20 0.37
GALR3 O60755 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
KDR P35968 1/20 0.34

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
SCHEMBL11280715 0.90 MAPT (0.38) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL11285261 0.87 SMN1; SMN2 (0.37) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL11104840 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL11281476 0.86 S1PR2 (0.39) SMN1; SMN2HTTL3MBTL1NPC1KMT2A
SCHEMBL11106347 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL11288219 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL11112198 0.80 KDM4E (0.42) SMN1; SMN2HTTKMT2AHPGDS1PR4
SCHEMBL11111880 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL11108006 0.80 MAPT (0.39) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL9221645 0.80 HTR1A (0.41) SMN1; SMN2HTTLMNAL3MBTL1NPC1

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
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed