SCHEMBL9375658

SCHEMBL9375658

Cc1cccnc1CCc1ccc(N)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SKP2 Q13309 1/20 0.39
KDM4E B2RXH2 1/20 0.37
BACE1 P56817 1/20 0.36
SSTR4 P31391 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRMT5 O14744 1/20 0.34
NR3C2 P08235 1/20 0.34
PARP1 P09874 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL9376768 0.82 GFER (0.48) NOS3NOS1NOS2KDM4ESSTR4
SCHEMBL9379313 0.81 TSHR (0.46) KDM4EPARP1SMN1; SMN2CYP3A4ALOX15
SCHEMBL26971380 0.76 KDM4E (0.61) NOS3NOS1NOS2KDM4ESSTR4
SCHEMBL9382376 0.76 RAB9A (0.55) TP53SMN1; SMN2CYP3A4NPC1HPGD
Hydrochloric Acid SCHEMBL9379279 0.74 FABP6 (0.42) NOS3NOS1NOS2KDM4EPRMT5
SCHEMBL2777255 0.73 TDP1 (0.48) SKP2KDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL9376123 0.72 HRH1 (0.52) KDM4ECYP3A4ALOX15TDP1LMNA
SCHEMBL30839509 0.72 NOS3 (0.48) NOS3NOS1NOS2SSTR4TDP1
SCHEMBL701433 0.72 NOS3 (0.48) NOS3NOS1NOS2SSTR4TDP1
SCHEMBL17849499 0.70 SSTR4 (0.47) NOS3NOS1NOS2KDM4ESSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed