SCHEMBL10367343

SCHEMBL10367343

CN=C(NC)NCCSCc1csc(N=C(N)N)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.77
MAPT P10636 2/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
SLC22A2 O15244 2/20 0.51
CA12 O43570 2/20 0.51
SLC22A3 O75751 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
MAOA P21397 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA5A P35218 2/20 0.51
CA7 P43166 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
POU5F1 Q01860 2/20 0.51
CA9 Q16790 2/20 0.51

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
SCHEMBL12648668 0.91 HRH2 (0.67) HRH2MAPTCYP3A4CYP2D6SLC22A2
Tiotidine SCHEMBL7574356 0.87 HRH2 (1.00) HRH2MAPTCYP3A4CYP2D6SLC22A2
Tiotidine SCHEMBL118501 0.87 HRH2 (0.71) HRH2MAPTCYP3A4CYP2D6SLC22A2
Tiotidine SCHEMBL9436849 0.86 HRH2 (0.70) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL22296556 0.81 HRH2 (0.57) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL16386265 0.79 HRH2 (0.61) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL16386193 0.79 ACHE (0.65) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL23804936 0.78 HRH2 (0.70) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL23804937 0.78 HRH2 (0.70) HRH2MAPTCYP3A4CYP2D6SLC22A2
SCHEMBL16386263 0.78 HRH2 (0.63) HRH2MAPTCYP3A4CYP2D6SLC22A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353262-A1 NEW THERAPEUTICAL USE OF H 2?-RECEPTOR-BLOCKING COMPOUNDS Aktiebolaget Hässle (SE) 1990-02-07 EP disclosed
WO-1989004178-A1 NEW THERAPEUTICAL USE OF H2-RECEPTOR-BLOCKING COMPOUNDS Aktiebolaget Hässle (SE) 1989-05-18 WO disclosed