SCHEMBL27790409

SCHEMBL27790409

[CH2]C1(CN2C(=O)c3ccccc3C2=O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLS O94925 1/20 0.42
CASP3 P42574 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 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
SCHEMBL25336731 0.79 LMNA (0.45) LMNAALDH1A1CA12CA9GLS
SCHEMBL25959262 0.79 CA12 (0.46) LMNAALDH1A1CA12CA9GLS
SCHEMBL30554691 0.79 LMNA (0.45) LMNAALDH1A1CA12CA9GLS
SCHEMBL21618327 0.74 CA12 (0.44) LMNAALDH1A1CA12CA9GLS
SCHEMBL14909935 0.74 ALDH1A1 (0.44) LMNAALDH1A1CA12CA9GLS
SCHEMBL14928448 0.74 CYP1A2 (0.46) LMNAALDH1A1CA12CA9GLS
SCHEMBL8284161 0.74 LMNA (0.51) LMNAALDH1A1CA12CA9GLS
SCHEMBL799702 0.71 DRD3 (0.45) LMNAALDH1A1CA12CA9GLS
SCHEMBL21820687 0.71 GSK3B (0.46) LMNAALDH1A1CA12CA9KMT2A
SCHEMBL20774262 0.71 CA12 (0.50) LMNAALDH1A1CA12CA9GAA

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
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN disclosed