SCHEMBL8433636

SCHEMBL8433636

CCC(C)Nc1ncnc(NCCCl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
TP53 P04637 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR3 P49019 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL497296 0.85 HTR7 (0.48) ALDH1A1HTR7MEN1CYP1A2CYP2C19
SCHEMBL10572863 0.77 HRH4 (0.42) KMT2AL3MBTL1
SCHEMBL8464395 0.76 KMT2A (0.46) ALDH1A1HTR7MEN1CYP1A2CYP2C19
SCHEMBL10572859 0.72 HTR7 (0.42) HTR7KMT2AL3MBTL1
SCHEMBL7626245 0.71 GAA (0.44) ALDH1A1HTR7MEN1CYP1A2CYP2C19
SCHEMBL8854525 0.70 KCNH3 (0.49) ALDH1A1HTR7SMN1; SMN2HSD17B10LMNA
SCHEMBL8433668 0.70 CA1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL7799621 0.70 PDE4A (0.44) HTR7KMT2A
SCHEMBL7713854 0.69 GAA (0.53) ALDH1A1HTR7MEN1CYP1A2CYP2C19
SCHEMBL30076244 0.69 GAA (0.53) ALDH1A1HTR7MEN1CYP1A2CYP2C19

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-5958835-A Surfactant compositions NOVARTIS CORPORATION (FORMERLY CIBA-GEIGY CORPORATION) (US) 1999-09-28 US disclosed