SCHEMBL7970372

SCHEMBL7970372

COc1cc(CO)ccc1N=C(N)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.47
LMNA P02545 1/20 0.46
NOS1 P29475 3/20 0.45
NOS3 P29474 2/20 0.45
NOS2 P35228 2/20 0.45
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7565797 0.90 QRFPR (0.49) QRFPRLMNANOS1NOS3NOS2
SCHEMBL7970386 0.89 LMNA (0.48) QRFPRLMNANOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7960596 0.88 LMNA (0.47) QRFPRLMNANOS1NOS3NOS2
SCHEMBL22537245 0.80 NOS1 (0.55) QRFPRLMNANOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7565786 0.78 QRFPR (0.47) QRFPRLMNANOS1NOS3NOS2
SCHEMBL7565218 0.77 QRFPR (0.47) QRFPRLMNANOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7568761 0.76 QRFPR (0.46) QRFPRLMNANOS1NOS3NOS2
SCHEMBL7562858 0.76 QRFPR (0.71) QRFPRNOS1NOS3NOS2
SCHEMBL4393554 0.70 QRFPR (0.60) QRFPRLMNANOS1NOS3NOS2
Hydrochloric Acid SCHEMBL4406109 0.69 QRFPR (0.59) QRFPRLMNANOS1NOS3NOS2

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
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed