SCHEMBL10653073

SCHEMBL10653073

Cn1ncc(C(=O)NC(C#N)c2ccco2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SLC6A9 P48067 1/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ACACB O00763 2/20 0.33
ELANE P08246 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL9793870 0.78 GRN (0.44) ALDH1A1MAPTLMNAHPGDACACB
SCHEMBL10665838 0.77 CTSV (0.46) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL10921927 0.75 CYP1A2 (0.48) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL9089634 0.75 LMNA (0.33) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL9528349 0.74 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDPKM
SCHEMBL9786414 0.74 LMNA (0.34) ALDH1A1MAPTALOX5LMNAHPGD
SCHEMBL10653083 0.74 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AUSP2
SCHEMBL10662809 0.73 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL9645999 0.73 ALDH1A1 (0.38) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL9533252 0.73 HTT (0.35) ALDH1A1MAPTALOX5LMNAHPGD

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
EP-0268892-A2 Substituted-amido derivatives, method for preparation of the same and phytopathogenic fungicides containing the same NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-06-01 EP disclosed