SCHEMBL7449928

SCHEMBL7449928

Cn1c(NC2CCCCC2O)nc2nc(-c3ccccc3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.44
MDM2 Q00987 8/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE5A O76074 2/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 2/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
ALOX15 P16050 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
SCHEMBL7449932 1.00 TSHR (0.46) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7446930 0.98 TSHR (0.44) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7446937 0.98 TSHR (0.44) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7436704 0.91 MAPK1 (0.48) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7436693 0.91 MAPK1 (0.48) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7449228 0.90 TSHR (0.49) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7449225 0.90 TSHR (0.49) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7440766 0.89 MAPK1 (0.46) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7446214 0.89 MAPK1 (0.46) TSHRMAPK1TP53HSD17B10HPGD
SCHEMBL7431286 0.89 MAPK1 (0.46) TSHRMAPK1TP53HSD17B10HPGD

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