SCHEMBL9970675

SCHEMBL9970675

CC(C)Nc1nc(Cl)nc(NCc2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
GAA P10253 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KCNH3 Q9ULD8 3/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
RAD52 P43351 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL11788237 0.87 KCNH3 (0.61) APPGAACA1CA2CA9
SCHEMBL9970375 0.86 ALDH1A1 (0.62) APPBCHEACHEGAACA1
SCHEMBL1562297 0.83 APP (0.59) APPGAACA1CA2CA9
SCHEMBL28736402 0.82 LMNA (0.60) APPBCHEACHEGAACA1
SCHEMBL11750440 0.80 ALDH1A1 (0.44) APPBCHEACHEGAATDP1
SCHEMBL7896995 0.79 CASR (0.59) KCNH3LMNAALDH1A1
SCHEMBL18276656 0.79 GAA (0.66) APPGAANPSR1
SCHEMBL15720720 0.78 KCNH3 (0.56) APPGAACA1CA2CA9
SCHEMBL1924308 0.78 KCNH3 (0.83) GAATDP1KCNH3LMNAPOLB
SCHEMBL30568861 0.78 KCNH3 (0.83) GAATDP1KCNH3LMNAPOLB

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-2012083190-A1 INSECT ODORANT RECEPTOR ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2012-06-21 WO disclosed