SCHEMBL9300451

SCHEMBL9300451

N#CNC(S)=NCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.46
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 1/20 0.42
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.35
P2RX7 Q99572 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL5064966 0.71 TAAR1 (0.61) TAAR1GRIN2BGRIN1IDO1HTR3E
SCHEMBL9213866 0.70 NAMPT (0.44) NAMPTMALT1
SCHEMBL9218662 0.70 NAMPT (0.44) NAMPTMALT1
Hydrochloric Acid SCHEMBL4799473 0.69 TAAR1 (0.62) TAAR1GRIN2BGRIN1IDO1HTR3E
SCHEMBL9216682 0.69 CYP3A4 (0.52) NAMPTKMT2AP2RX7
SCHEMBL9216684 0.69 CYP3A4 (0.52) NAMPTKMT2AP2RX7
SCHEMBL6818442 0.68 HTR3E (0.51) NAMPTTAAR1ALDH1A1HTR3EHTR3B
SCHEMBL9667523 0.66 TAAR1 (0.71) TAAR1GRIN2BGRIN1HTR3EHTR3B
SCHEMBL4682902 0.64 MEN1 (0.50) ALDH1A1KMT2A
SCHEMBL15300018 0.62 CYP1A2 (0.50) TAAR1KMT2AIDO1

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-0625967-A1 N,N'-SUBSTITUTED IMIDOCARBONIMIDIC DIAMIDES DERIVED FROM HYDROXYLAMINES. JACOBUS PHARMA CO INC (US) 1994-11-30 EP disclosed