SCHEMBL9843398

SCHEMBL9843398

CN1CCN(c2nc(N)n(CN(N)C=S)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.38
KMT2A Q03164 1/20 0.35
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL9253618 0.73
SCHEMBL9257302 0.70 CA12 (0.32)
SCHEMBL9347927 0.64 HRH4 (0.35) HRH4KMT2AHTR3AHTR6
SCHEMBL9735664 0.60 HRH4 (0.36) HRH4KMT2AHTR3AHTR6
SCHEMBL27082996 0.60 HRH4 (0.59) HRH4KMT2AHTR3AHTR6
SCHEMBL5032275 0.60 HRH4 (0.78) HRH4HTR6
SCHEMBL26037956 0.57 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL3566311 0.57 HRH4 (0.50) HRH4KMT2AHTR3A
SCHEMBL1966112 0.56 HRH4 (0.64) HRH4
SCHEMBL12455903 0.55 HRH4 (1.00) HRH4HTR6

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-0425282-A2 Triazolo derivatives and process for their preparation EGIS GYOGYSZERGYAR (HU) 1991-05-02 EP disclosed