SCHEMBL11064255

SCHEMBL11064255

N#CCCCCCc1nccc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 6/20 0.35
EPAS1 Q99814 6/20 0.35
TBXAS1 P24557 2/20 0.35
LTB4R Q15722 1/20 0.33
NAAA Q02083 1/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CDC7 O00311 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL10563463 0.98 ATM (0.36) ATML3MBTL1HIF1AEPAS1TBXAS1
SCHEMBL10564336 0.78 NCF1 (0.35) KCNH2SCN5ASCN9ACDC7
SCHEMBL29172695 0.78 KCNH2 (0.43) KCNH2
SCHEMBL8348332 0.78 HRH1 (0.42)
Hydrochloric Acid SCHEMBL5743709 0.76 ALOX5AP (0.36) HIF1AEPAS1
SCHEMBL6530888 0.76 TLR8 (0.41) L3MBTL1KCNH2
SCHEMBL4652320 0.76 NOS2 (0.41) SCN9A
SCHEMBL27805707 0.74 TLR8 (0.44) PDE3BPDE3A
SCHEMBL10783205 0.73 ALDH1A1 (0.36) KCNH2SCN5ASCN9ACDC7
SCHEMBL11814514 0.72 HSP90AA1 (0.33)

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-4463005-A INHIBIT SECRETION OF GASTRIC ACID IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-31 US disclosed
EP-0060730-A2 Bicyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed