SCHEMBL8934613

SCHEMBL8934613

NC(N)=Nc1nc(CSc2ccc(N)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 11/20 0.54
ATP4B P51164 11/20 0.54
HRH2 P25021 3/20 0.47
SLC22A2 O15244 2/20 0.47
CA12 O43570 2/20 0.47
SLC22A3 O75751 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MAOA P21397 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
POU5F1 Q01860 2/20 0.47
CA9 Q16790 2/20 0.47
SLC47A2 Q86VL8 2/20 0.47

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
SCHEMBL16386296 0.88 ATP4A (0.55) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL8934557 0.82 MAPT (0.48) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL18346920 0.79 HRH2 (0.56) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL9046733 0.77 ALDH1A1 (0.58) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10782626 0.77 HRH2 (0.51) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL22296554 0.76 HRH2 (0.53) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL22296507 0.76 ATP4A (0.41) ATP4AATP4BHRH2SLC22A2CA12
Hydrochloric Acid SCHEMBL10784425 0.75 HRH2 (0.50) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL10772774 0.75 CYP2D6 (0.49) ATP4AATP4BHRH2SLC22A2CA12
SCHEMBL10782629 0.74 HRH2 (0.52) ATP4AATP4BHRH2SLC22A2CA12

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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed