SCHEMBL21739708

SCHEMBL21739708

CC1(C)C=CC(N)=C(N)C=C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 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
SCHEMBL22826791 0.81
SCHEMBL23442883 0.81
SCHEMBL18771851 0.78 NOS3 (0.33) NOS3NOS2
SCHEMBL23019159 0.77
SCHEMBL22337585 0.71 NOS3 (0.30) NOS3NOS2
SCHEMBL321091 0.68
SCHEMBL24134377 0.68 NOS3 (0.41) NOS3NOS2
SCHEMBL21447911 0.67
SCHEMBL1100011 0.67
SCHEMBL20465630 0.67

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-3601427-B1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS IT (IT) 2023-05-10 EP disclosed
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed
EP-3610874-A1 PHARMACEUTICAL COMPOSITION CONTAINING MOR AGONIST AND KOR AGONIST, AND USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-02-19 EP disclosed