SCHEMBL7665126

SCHEMBL7665126

COc1cc2ccccc2cc1C1=N/C(=C/N2CCN(c3nc4ccccc4[nH]3)CC2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
TP53 P04637 4/20 0.43
NPY5R Q15761 4/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TRPC3 Q13507 1/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
OPRK1 P41145 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7665129 1.00 KCNH2 (0.44) KCNH2TP53NPY5RLMNAPOLB
SCHEMBL7663700 0.86 LMNA (0.48) KCNH2TP53NPY5RLMNAPOLB
SCHEMBL7663710 0.86 LMNA (0.48) KCNH2TP53NPY5RLMNAPOLB
SCHEMBL7666705 0.85 NPY5R (0.47) KCNH2TP53NPY5RLMNABCHE
SCHEMBL7666713 0.85 NPY5R (0.47) KCNH2TP53NPY5RLMNABCHE
SCHEMBL7672232 0.84 RAB9A (0.49) KCNH2TP53NPY5RLMNAPOLB
SCHEMBL7672237 0.84 RAB9A (0.49) KCNH2TP53NPY5RLMNAPOLB
SCHEMBL7669629 0.83 NPY5R (0.48) TP53NPY5RBCHEACHETRPC3
SCHEMBL7669635 0.83 NPY5R (0.48) TP53NPY5RBCHEACHETRPC3
SCHEMBL7666369 0.82 ADRA1A (0.55) KCNH2TP53NPY5RBCHEACHE

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
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed