SCHEMBL8147331

SCHEMBL8147331

Cc1cc(C(=N)N)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
PRSS1 P07477 10/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 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
Hydrochloric Acid SCHEMBL9202510 0.85 TSHR (0.63) TSHRPRSS1PRSS2PRSS3MAPT
SCHEMBL2767396 0.84 TSHR (0.72) TSHRMAPTRAB9ANPC1POLB
SCHEMBL2889619 0.83 TSHR (0.65) TSHRMAPTRAB9ANPC1POLB
SCHEMBL28050912 0.80 TSHR (0.77) TSHRMAPTRAB9ANPC1POLB
SCHEMBL16955993 0.80 TSHR (0.71) TSHRMAPTRAB9ANPC1POLB
SCHEMBL18838994 0.80 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL1611926 0.80 PRSS1 (0.58) PRSS1MAPTALDH1A1GAAL3MBTL1
SCHEMBL1829461 0.80 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL31378091 0.80 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL264768 0.79 TSHR (1.00) TSHRMAPTRAB9ANPC1POLB

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed