SCHEMBL11544632

SCHEMBL11544632

CN(C(N)=S)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
PDK2 Q15119 2/20 0.45
PDE2A O00408 2/20 0.44
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H3 Q13133 2/20 0.39
FSCN1 Q16658 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 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
SCHEMBL8346846 0.79 PDK2 (0.51) MAPTPDK2PDE2ANR1H3FSCN1
SCHEMBL1768930 0.78 PDE2A (0.49) ALDH1A1MAPTPDK2PDE2AHTT
SCHEMBL8347829 0.74 HTR3E (0.49) ALDH1A1PDK2PDE2ANR1H3FSCN1
SCHEMBL8347827 0.74 HTR3E (0.49) ALDH1A1PDK2PDE2ANR1H3FSCN1
SCHEMBL6605599 0.73 ALDH1A1 (0.59) ALDH1A1MAPTHTTPLAUMEN1
SCHEMBL11544629 0.72 PDE2A (0.41) ALDH1A1MAPTPDK2PDE2ANR1H3
SCHEMBL29224592 0.71 ALDH1A1 (0.53) ALDH1A1MAPTPDE2AHTTSMN1; SMN2
SCHEMBL29993198 0.71 MEN1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9696869 0.71 PKM (0.41) ALDH1A1MAPTKDM4ERAB9A
SCHEMBL5108912 0.70 KDM4E (0.44) ALDH1A1MAPTPDK2PDE2AHTT

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-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed