SCHEMBL7443243

SCHEMBL7443243

Cn1c(NCC(O)c2ccccc2)nc2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GSK3B P49841 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
POLB P06746 1/20 0.41
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
CDK1 P06493 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL7445594 0.83 SMN1; SMN2 (0.62) HIF1ALMNAMAPTGAASMN1; SMN2
SCHEMBL7443156 0.81 SMN1; SMN2 (0.54) LMNAMAPTGAASMN1; SMN2ADORA2B
SCHEMBL7440073 0.77 GAA (0.47) HIF1AMAPTGAASMN1; SMN2ADORA2B
SCHEMBL7439781 0.75 GAA (0.60) HIF1ALMNAGAASMN1; SMN2ADORA2B
SCHEMBL28814905 0.74 GAA (0.59) HIF1ALMNAGAASMN1; SMN2ADORA2B
SCHEMBL7434632 0.74 GAA (0.48) HIF1ALMNAGAASMN1; SMN2ADORA2B
SCHEMBL7441123 0.73 GAA (0.47) HIF1AGAASMN1; SMN2ADORA2BRXFP1
SCHEMBL7438604 0.73 GAA (0.47) HIF1AGAASMN1; SMN2ADORA2BRXFP1
SCHEMBL7441118 0.73 GAA (0.47) HIF1AGAASMN1; SMN2ADORA2BRXFP1
SCHEMBL7438608 0.73 GAA (0.47) HIF1AGAASMN1; SMN2ADORA2BRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed