SCHEMBL8934557

SCHEMBL8934557

NC(N)=Nc1nc(CSc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
HRH2 P25021 3/20 0.45
SLC22A2 O15244 2/20 0.45
CA12 O43570 2/20 0.45
SLC22A3 O75751 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
MAOA P21397 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
POU5F1 Q01860 2/20 0.45
CA9 Q16790 2/20 0.45
SLC47A2 Q86VL8 2/20 0.45
CA13 Q8N1Q1 2/20 0.45

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
SCHEMBL8934613 0.82 ATP4A (0.54) MAPTHRH2SLC22A2CA12SLC22A3
SCHEMBL16386296 0.81 ATP4A (0.55) MAPTHRH2SLC22A2CA12SLC22A3
SCHEMBL9045517 0.80 MAPT (0.54) MAPTLMNATSHRSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL826626 0.75 MAPT (0.47) MAPTLMNAADRA2AADRA2BADRA2C
Bromide SCHEMBL827382 0.74 ATP4A (0.63) MAPTSMN1; SMN2ALDH1A1
SCHEMBL9047133 0.73 RAB9A (0.60) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9048064 0.72 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL22296554 0.70 HRH2 (0.53) MAPTHRH2SLC22A2CA12SLC22A3
SCHEMBL22296507 0.70 ATP4A (0.41) MAPTHRH2SLC22A2CA12SLC22A3
SCHEMBL823916 0.69 LMNA (0.52) MAPTCA12CA1CA2LMNA

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