SCHEMBL7970441

SCHEMBL7970441

Cc1ccc(CCl)cc1N=C(N)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.47
NOS3 P29474 5/20 0.47
NOS2 P35228 4/20 0.47
QRFPR Q96P65 1/20 0.44

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 SCHEMBL7599407 0.99 NOS1 (0.46) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7565786 0.83 QRFPR (0.47) NOS1NOS3NOS2QRFPR
SCHEMBL7970386 0.81 LMNA (0.48) NOS1NOS3NOS2QRFPR
SCHEMBL7601797 0.81 NOS3 (0.46) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7960596 0.80 LMNA (0.47) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7603678 0.80 NOS3 (0.47) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7970580 0.76 NOS1 (0.58) NOS1NOS3NOS2QRFPR
SCHEMBL7602753 0.75 NOS1 (0.47) NOS1NOS3NOS2QRFPR
Hydrochloric Acid SCHEMBL7602412 0.74 NOS1 (0.46) NOS1NOS3NOS2QRFPR
SCHEMBL7565797 0.72 QRFPR (0.49) NOS1NOS3NOS2QRFPR

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