SCHEMBL9852822

SCHEMBL9852822

CNc1cc(C)nc(Nc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
HTT P42858 4/20 0.59
LMNA P02545 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GPR55 Q9Y2T6 1/20 0.59
OGG1 O15527 1/20 0.57
IGF1R P08069 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
KCNH2 Q12809 1/20 0.52
GAA P10253 1/20 0.51
USP2 O75604 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC2A1 P11166 2/20 0.51

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
SCHEMBL12340074 0.89 MAPT (0.71) TAAR1HTTLMNAKDM4EMAPT
Pyrimethanil SCHEMBL20817 0.85 SMN1; SMN2 (0.71) TAAR1HTTLMNAKDM4EMAPT
Pyrimethanil SCHEMBL22041985 0.83 SMN1; SMN2 (0.69) TAAR1HTTLMNAKDM4EMAPT
Pyrimethanil SCHEMBL10664468 0.83 SMN1; SMN2 (0.69) TAAR1HTTLMNAKDM4EMAPT
SCHEMBL13329901 0.80 LMNA (0.81) TAAR1HTTLMNAKDM4EMAPT
SCHEMBL11317375 0.79 LMNA (0.54) HTTLMNAKDM4EMAPTSMN1; SMN2
SCHEMBL13329971 0.77 LMNA (0.64) TAAR1HTTLMNAKDM4EMAPT
SCHEMBL12430951 0.77 AURKA (0.63) TAAR1HTTLMNAKDM4EMAPT
SCHEMBL2206402 0.77 MAPT (0.57) TAAR1HTTLMNAKDM4EMAPT
SCHEMBL11410297 0.77 TAAR1 (0.61) TAAR1HTTLMNAKDM4EMAPT

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-0457727-A1 Pesticides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed