SCHEMBL7438356

SCHEMBL7438356

O=c1c2c(ncn2Cc2ccccc2)nc(NC2CCCCC2O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL7438364 1.00 PDE5A (0.44) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7442334 0.98 SMN1; SMN2 (0.44) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7442326 0.98 SMN1; SMN2 (0.44) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7441123 0.89 GAA (0.47) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7441118 0.89 GAA (0.47) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7438608 0.87 GAA (0.47) SMN1; SMN2KMT2ATSHRMAPK1HPGD
SCHEMBL7438604 0.87 GAA (0.47) SMN1; SMN2KMT2ATSHRMAPK1HPGD
SCHEMBL7436693 0.76 MAPK1 (0.48) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7436704 0.76 MAPK1 (0.48) PDE5ASMN1; SMN2KMT2ATSHRMAPK1
SCHEMBL7449228 0.75 TSHR (0.49) PDE5ASMN1; SMN2KMT2ATSHRMAPK1

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