SCHEMBL11291016

SCHEMBL11291016

Cc1cc(NCCc2ccccc2)nc(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 2/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13329874 0.83 LMNA (0.66) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL13647029 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL13329971 0.78 LMNA (0.64) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL12674351 0.75 METAP1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTCYP1A2
SCHEMBL13309780 0.73 GBA1 (0.59) ALDH1A1SMN1; SMN2TSHRCYP1A2HPGD
SCHEMBL11507979 0.73 LMNA (0.54) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL13895143 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTCYP1A2KDM4E
SCHEMBL16051361 0.71 L3MBTL1 (0.47) ALDH1A1KDM4EHPGDL3MBTL1HTR7
SCHEMBL16136909 0.71 PIM1 (0.50) ALDH1A1SMN1; SMN2MAPK1KDM4EHPGD
SCHEMBL24008779 0.70 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAHTTTP53

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