SCHEMBL8562015

SCHEMBL8562015

O=C1Nc2ccncc2C(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 8/20 0.36
TNKS2 Q9H2K2 2/20 0.36
KDM1A O60341 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
BRD4 O60885 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
ATM Q13315 1/20 0.33
GSK3B P49841 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5103372 0.85 SLC18A3 (0.40) KDM1ASLC18A3SIGMAR1ATMMEN1
Hydrochloric Acid SCHEMBL8571208 0.84 KDM1A (0.40) KDM1ASLC18A3SIGMAR1ATMMEN1
SCHEMBL8565038 0.83 CHRM3 (0.47) SIGMAR1
SCHEMBL8564511 0.81 CCR5 (0.36) TNKSTNKS2SIGMAR1BRD4TP53
SCHEMBL8565402 0.78 HTR1A (0.40) TNKSTNKS2SLC18A3SIGMAR1NSD3
SCHEMBL8568450 0.78 KDM1A (0.38) KDM1ASLC18A3SIGMAR1ATMMEN1
SCHEMBL8573043 0.77 SIGMAR1 (0.43) KDM1ASIGMAR1
SCHEMBL6167647 0.77 SLC6A2 (0.38) TNKS2ATMTP53MEN1KMT2A
SCHEMBL8570094 0.74 CHRM3 (0.51) SIGMAR1KMT2APOLB
SCHEMBL8565096 0.73 CCR5 (0.48) KDM1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed