SCHEMBL7656087

SCHEMBL7656087

COc1cc2ncnc(N3CCN(C(=C[N+](=O)[O-])SC)CC3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.62
BACE1 P56817 4/20 0.62
PDGFRB P09619 15/20 0.61
PDGFRA P16234 4/20 0.61
KIT P10721 2/20 0.61
FLT3 P36888 2/20 0.61
ENPP1 P22413 1/20 0.55

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
SCHEMBL7656082 1.00 ACHE (0.62) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL7657638 0.78 PDGFRB (0.58) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL11882354 0.78 ACHE (0.88) ACHEBACE1ENPP1
SCHEMBL7657641 0.77 PDGFRB (0.60) PDGFRBPDGFRAKIT
SCHEMBL2915714 0.76 ACHE (0.80) ACHEBACE1PDGFRBPDGFRAKIT
Hydrochloric Acid SCHEMBL2915718 0.76 ACHE (0.80) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL3867670 0.76 ACHE (0.80) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL842459 0.76 PDGFRB (1.00) PDGFRBPDGFRAKITFLT3
SCHEMBL2919306 0.75 PDGFRB (1.00) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL3867673 0.75 ACHE (0.73) ACHEBACE1PDGFRBPDGFRAKIT

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
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed