SCHEMBL7931738

SCHEMBL7931738

NC1=NC(c2ncc[nH]2)Nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.58
ADRA1A P35348 4/20 0.41
NISCH Q9Y2I1 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
TLK2 Q86UE8 1/20 0.34
NOS1 P29475 1/20 0.34

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
Hydrochloric Acid SCHEMBL8379817 0.98 NOS2 (0.56) NOS2ADRA1ANISCHADRA2AADRA1D
SCHEMBL7802794 0.74 NOS2 (1.00) NOS2NOS1
Hydrochloric Acid SCHEMBL8378309 0.72 NOS2 (0.96) NOS2NOS1
SCHEMBL7804437 0.72 NOS2 (0.61) NOS2NOS1
SCHEMBL7938376 0.71 NOS2 (0.59) NOS2NOS1
SCHEMBL8058362 0.71 NOS3 (0.57) NOS2ADRA1ANISCHADRA2AADRA1D
Hydrochloric Acid SCHEMBL8380996 0.70 NOS2 (0.58) NOS2NOS1
Hydrochloric Acid SCHEMBL8104231 0.70 NOS3 (0.56) NOS2ADRA1ANISCHADRA2AADRA1D
SCHEMBL11244413 0.68 ADRA1A (0.50) ADRA1ANISCHADRA2AADRA1DADRA1B
SCHEMBL7806689 0.68 NOS2 (1.00) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248745-B1 MIXTURE COMPRISING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR AND A 1,2-DIHYDRO-4-AMINOQUINAZOLINE DERIVATIVE INHIBITOR OF INDUCED NITRIC OXIDE SYNTHASE (INOS); NON-STEROIDAL ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-06-19 US claimed