SCHEMBL7930217

SCHEMBL7930217

CCC(C)c1nc2c(OC)ccc(I)n2n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.32
PDE4D Q08499 5/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE2A O00408 1/20 0.31
PDE4A P27815 1/20 0.31
HAVCR2 Q8TDQ0 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL7042523 0.73 PDE10A (0.44) PDE10APDE4DALDH1A1MAPT
SCHEMBL510059 0.67 PDE4A (0.59) PDE4DPDE4A
SCHEMBL509400 0.64 PDE4A (0.61) PDE4DPDE4A
SCHEMBL508221 0.63 PDE4D (0.59) PDE4DPDE4A
SCHEMBL17571398 0.63 PDE4D (0.48) PDE4DPDE4A
SCHEMBL3469402 0.62 PDE4A (0.58) PDE4DPDE4A
SCHEMBL8298141 0.61 ALDH1A1 (0.60) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL22350120 0.58 ALDH1A1 (0.46) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL260564 0.58 PDE10A (0.56) PDE10A
SCHEMBL9963706 0.58 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTALOX12

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
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed