SCHEMBL7436704

SCHEMBL7436704

Cc1nc2nc(N[C@@H]3CCCC[C@H]3O)n(C)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PDE5A O76074 3/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DPP4 P27487 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
SCHEMBL7436693 1.00 MAPK1 (0.48) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7449228 0.99 TSHR (0.49) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7449225 0.99 TSHR (0.49) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7440766 0.98 MAPK1 (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7446214 0.98 MAPK1 (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7431286 0.98 MAPK1 (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7449932 0.91 TSHR (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7449928 0.91 TSHR (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7441205 0.89 HSD17B10 (0.46) MAPK1TSHRHSD17B10TP53KMT2A
SCHEMBL7441201 0.89 HSD17B10 (0.46) MAPK1TSHRHSD17B10TP53KMT2A

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