SCHEMBL7415910

SCHEMBL7415910

CCOC(=O)c1cc(-n2cccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
MAPT P10636 9/20 0.46
ALDH1A1 P00352 9/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL3366196 0.87 SIRT6 (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8302020 0.82 DTYMK (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL18094323 0.81 JAK2 (0.51) JAK2JAK3ALDH1A1KMT2ARAB9A
SCHEMBL7419149 0.81 JAK2 (0.53) JAK2JAK3MAPTALDH1A1KMT2A
SCHEMBL14130143 0.81 JAK2 (0.53) JAK2JAK3MAPTALDH1A1MEN1
SCHEMBL1969115 0.79 JAK2 (0.53) JAK2JAK3MAPTALDH1A1MEN1
SCHEMBL5063232 0.78 JAK2 (0.50) JAK2JAK3MAPTALDH1A1MEN1
SCHEMBL4137682 0.78 HPGD (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7078820 0.76 JAK2 (0.47) JAK2JAK3MAPTALDH1A1MEN1
SCHEMBL268283 0.75 MAPT (0.61) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0691967-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS Eisai Co., Ltd. (JP) 1996-01-17 EP disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 WO disclosed