SCHEMBL11544115

SCHEMBL11544115

Nc1nc2cc3c(cc2[nH]1)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.52
PLAU P00749 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NPY5R Q15761 1/20 0.38
SRC P12931 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL25830578 0.89 FABP6 (0.52) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL712984 0.78 PDE10A (0.44) PDE10ACA2ALDH1A1MEN1KMT2A
SCHEMBL3478941 0.78 CHRNB2 (0.45) PDE10ACA2ALDH1A1MEN1KMT2A
SCHEMBL15553070 0.75 FABP6 (0.49) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL14364610 0.75 ALDH1A1 (0.57) PDE10ACA2ALDH1A1MEN1KMT2A
SCHEMBL3427346 0.74 LMNA (0.54) PDE10ACA2ALDH1A1NPY5RBRS3
SCHEMBL12111153 0.74 GAA (0.56) PDE10ACA2ALDH1A1MEN1KMT2A
Bromide SCHEMBL16767404 0.74 FABP6 (0.47) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL12109112 0.74 ALDH1A1 (0.43) PDE10ACA2ALDH1A1TDP1NPY5R
Hydrochloric Acid SCHEMBL27136123 0.74 PDE10A (0.56) PDE10AALDH1A1MEN1KMT2ATDP1

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-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed