SCHEMBL7674650

SCHEMBL7674650

[O]Cc1cncc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28094372 0.82 POLB (0.44) TSHRPOLBSMN1; SMN2ATMALDH1A1
SCHEMBL5116443 0.82 GAA (0.40) TSHRPOLBSMN1; SMN2ATMALDH1A1
SCHEMBL12466487 0.82 SMN1; SMN2 (0.38) TSHRPOLBSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL287221 0.81 SMN1; SMN2 (0.37) TSHRPOLBSMN1; SMN2ATMALDH1A1
SCHEMBL5252228 0.80 CYP19A1 (0.55) TSHRSMN1; SMN2ALDH1A1CYP19A1LMNA
SCHEMBL3717744 0.79 SMN1; SMN2 (0.36) TSHRPOLBSMN1; SMN2ATMALDH1A1
SCHEMBL24534037 0.78 ALDH1A1 (0.39) TSHRPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL14782135 0.77 POLB (0.49) TSHRPOLBSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL11494117 0.76 CYP19A1 (0.56) TSHRPOLBSMN1; SMN2ALDH1A1CYP19A1
Ethylene SCHEMBL28777120 0.76 CYP19A1 (0.50) TSHRSMN1; SMN2ALDH1A1CYP19A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed