SCHEMBL6901785

SCHEMBL6901785

O=[N+]([O-])c1ccc(SNC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ADRB1 P08588 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
KHK P50053 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CRBN Q96SW2 1/20 0.40
PTGIR P43119 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.37
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20291392 0.86 MAPT (0.58) MAPTLMNAPOLBGAAMEN1
SCHEMBL14790647 0.76 ADRB1 (0.46) MAPTLMNAPOLBGAAADRB1
SCHEMBL2708330 0.76 MAPT (0.73) MAPTLMNAPOLBGAAADRB1
SCHEMBL24762157 0.76 FPR2 (0.36) KHKCRBN
Hydrochloric Acid SCHEMBL16514506 0.75 MAPT (0.71) MAPTLMNAPOLBGAAADRB1
Hydrochloric Acid SCHEMBL29847576 0.75 MAPT (0.71) MAPTLMNAPOLBGAAADRB1
Hydrochloric Acid SCHEMBL14782734 0.75 ADRB1 (0.45) MAPTLMNAPOLBGAAADRB1
SCHEMBL5608590 0.73 BCHE (0.59) MAPTLMNAPOLBGAAMEN1
SCHEMBL1879475 0.73 MEN1 (0.53) POLBCA1CA2MEN1KMT2A
SCHEMBL24529786 0.72 HTR2C (0.51) CRBNPTGIRKCNH2

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-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed