Sugi Predict

Sugi Predict / Compounds / SCHEMBL7940819

SCHEMBL7940819

SCHEMBL7940819

NC1=NC2(CCN(C(=O)c3cccc(O)c3)CC2)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 8/20 0.52
▸ NOS1 P29475 6/20 0.52
▸ NEK2 P51955 1/20 0.45
▸ MGLL Q99685 8/20 0.45
▸ NOS3 P29474 2/20 0.45

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 SCHEMBL8376649 0.99 NOS2 (0.52) NOS2NOS1NEK2MGLLNOS3
SCHEMBL7802857 0.90 NOS2 (0.53) NOS2NOS1NEK2MGLLNOS3
SCHEMBL7804452 0.90 NOS2 (0.57) NOS2NOS1NEK2NOS3
SCHEMBL7931778 0.89 NOS2 (0.57) NOS2NOS1NEK2NOS3
Hydrochloric Acid SCHEMBL8378262 0.89 NOS2 (0.56) NOS2NOS1NEK2NOS3
SCHEMBL7802914 0.88 GABRD (0.53) NOS2NOS1NEK2NOS3
Hydrochloric Acid SCHEMBL8376965 0.88 NOS2 (0.56) NOS2NOS1NEK2NOS3
Hydrochloric Acid SCHEMBL8376639 0.87 GABRD (0.52) NOS2NOS1NEK2NOS3
SCHEMBL7803377 0.85 NOS2 (0.55) NOS2NOS1NEK2NOS3
SCHEMBL7796711 0.85 NOS2 (0.58) NOS2NOS1NEK2NOS3

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