SCHEMBL6418253

SCHEMBL6418253

NNc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 4/20 0.50
CCR2 P41597 1/20 0.50
CCR5 P51681 1/20 0.50
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BRAF P15056 1/20 0.44
POLA1 P09884 2/20 0.42
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
GRM4 Q14833 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 1/20 0.39
TYMS P04818 1/20 0.39
ARNT P27540 1/20 0.39

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
Hydrochloric Acid SCHEMBL6421068 0.99 MAPT (0.49) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3051396 0.92 TP53 (0.55) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL6416881 0.87 MAPT (0.51) MAPTSMN1; SMN2TP53CCR2CCR5
Hydrochloric Acid SCHEMBL6413527 0.86 MAPT (0.50) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3059036 0.85 TP53 (0.53) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3055646 0.84 TP53 (0.58) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3058473 0.82 MAPT (0.48) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3055713 0.82 MAPT (0.50) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3052187 0.82 HTT (0.57) MAPTSMN1; SMN2TP53CCR2CCR5
Ammonia Solution, Strong SCHEMBL4262270 0.81 MAPT (0.53) MAPTSMN1; SMN2TP53CCR2CCR5

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-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed