SCHEMBL11089908

SCHEMBL11089908

C=C(C(=O)c1ccccc1)n1cncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
FAAH O00519 2/20 0.46
MGLL Q99685 2/20 0.46
PDE4B Q07343 2/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
CYP19A1 P11511 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10824159 0.91 LMNA (0.49) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL14321564 0.79 ALDH1A1 (0.53) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL1608161 0.79 ALDH1A1 (0.61) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL28469425 0.75 LMNA (0.71) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL8123424 0.75 CYP1A2 (0.45) ALDH1A1GAASMN1; SMN2CYP19A1MAPT
SCHEMBL11365025 0.71 LMNA (0.64) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL11365029 0.71 LMNA (0.64) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL10529985 0.70 CYP19A1 (0.61) LMNAALDH1A1GAASMN1; SMN2PDE4B
SCHEMBL11232470 0.69 ALDH1A1 (0.50) LMNAALDH1A1GAASMN1; SMN2FAAH
SCHEMBL11232464 0.69 ALDH1A1 (0.50) LMNAALDH1A1GAASMN1; SMN2FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435411-A Combating fungi with 1-phenyl-2-(1,2,4-triazol-1-yl)-prop-2-en-1-ones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US claimed
US-4435411-A Combating fungi with 1-phenyl-2-(1,2,4-triazol-1-yl)-prop-2-en-1-ones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
US-4435411-A Combating fungi with 1-phenyl-2-(1,2,4-triazol-1-yl)-prop-2-en-1-ones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed