SCHEMBL11101656

SCHEMBL11101656

Cc1ccc(OCCNc2ncnc(Cl)c2Br)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
HTR1A P08908 1/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
S1PR4 O95977 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11111880 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTHTR1AGALR3
SCHEMBL11102905 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTHTR1AL3MBTL1
SCHEMBL11288219 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTHTR1AGALR3
SCHEMBL11109296 0.82 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTHTR1AL3MBTL1
SCHEMBL11106347 0.82 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTHTR1AGALR3
SCHEMBL11104840 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTHTR1AL3MBTL1
SCHEMBL11110999 0.81 KDM4E (0.46) SMN1; SMN2LMNAHTTKMT2AS1PR4
SCHEMBL11103158 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTHTR1AL3MBTL1
SCHEMBL11289412 0.78 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTTHTR1AGALR3
SCHEMBL9221645 0.78 HTR1A (0.41) SMN1; SMN2LMNAHTTHTR1AGALR3

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
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
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