SCHEMBL5336737

SCHEMBL5336737

Nc1nc(NC2CCCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.55
ACP1 P24666 2/20 0.55
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51
POLB P06746 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
KDM4E B2RXH2 1/20 0.51
IDH1 O75874 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPY5R Q15761 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL22041442 1.00 PDE5A (0.55) PDE5AACP1NPSR1SMN1; SMN2ADORA3
SCHEMBL19679830 1.00 PDE5A (0.55) PDE5AACP1NPSR1SMN1; SMN2ADORA3
SCHEMBL24342054 1.00 PDE5A (0.55) PDE5AACP1NPSR1SMN1; SMN2ADORA3
SCHEMBL29117417 0.98 NPSR1 (0.54) PDE5AACP1NPSR1SMN1; SMN2ADORA3
SCHEMBL29117427 0.92 NPSR1 (0.56) PDE5AACP1NPSR1SMN1; SMN2ADORA3
SCHEMBL8050442 0.89 ACP1 (0.61) PDE5AACP1SMN1; SMN2ADORA3ADORA2A
SCHEMBL20938766 0.89 ACP1 (0.61) PDE5AACP1SMN1; SMN2ADORA3ADORA2A
SCHEMBL18557173 0.89 ACP1 (0.61) PDE5AACP1SMN1; SMN2ADORA3ADORA2A
SCHEMBL20402847 0.89 ACP1 (0.61) PDE5AACP1SMN1; SMN2ADORA3ADORA2A
SCHEMBL7079031 0.86 SMN1; SMN2 (0.50) PDE5AACP1SMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211622-B2 Aqueous resin composition and its uses NIPPON SHOKUBAI CO., LTD. (JP) 2007-05-01 US disclosed
US-20040241484-A1 Aqueous resin composition and its uses NIPPON SHOKUBAI CO., LTD. (JP) 2004-12-02 US disclosed
US-6489396-B2 A CYCLOHEXYL CONTAINING (METH)ACRYLIC ESTER-BASED POLYMER CROSSLINKED WITH A DI-FUNCTIONAL CROSSLINKING AGENT; LOW VISCOSITY RESIN FOR LOW VOLATILE ORGANIC COMPOUND (VOC)-PAINTS NIPPON SHOKUBAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020091197-A1 (Meth)acrylate ester-based resin composition NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-11 US disclosed
EP-1205498-A1 (Meth)acrylate ester-based resin composition Nippon Shokubai Co., Ltd. (JP) 2002-05-15 EP disclosed
EP-0337744-A2 Ultraviolet-stable copolymer. Process for producing the same, and coating composition containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1989-10-18 EP disclosed