SCHEMBL4729982

SCHEMBL4729982

Cc1ccc(P(=O)(O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL21102326 0.87 DAO (0.36) DAONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24309052 0.80 NPC1 (0.39) DAONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23564002 0.78 NPC1 (0.38) DAONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4729980 0.71 CA2 (0.32) CA2CA4CA5A
SCHEMBL21101659 0.71 DAO (0.41) DAOCA2CA4CA5A
SCHEMBL21101660 0.71 ESRRG (0.44) NPC1RAB9ALMNATSHRALDH1A1
SCHEMBL21101858 0.69 FDPS (0.43) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL12669140 0.67 ALDH1A1 (0.42) DAONPC1RAB9AMAPTTDP1
SCHEMBL12336916 0.67 HSD17B10 (0.67) DAONPC1RAB9AMAPTSMN1; SMN2
Butane SCHEMBL2658735 0.66 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO claimed
US-8562867-B2 Organic species that facilitate charge transfer to or from nanostructures NANOSYS, INC. (US) 2013-10-22 US disclosed
US-7943064-B2 Organic species that facilitate charge transfer to or from nanostructures NANOSYS, INC. (US) 2011-05-17 US disclosed
US-20100065783-A1 Organic species that facilitate charge transfer to or from nanostructures NANOSYS, INC. (US) 2010-03-18 US disclosed
US-7572393-B2 Using a polymer medified with amine, mercaptan, phosphine or acid compound NANOSYS INC. (US) 2009-08-11 US disclosed
US-7572395-B2 Addition polymer modified with amine, mercaptan, phosphorus compound or acid compound NANOSYS, INC (US) 2009-08-11 US disclosed
US-20090050854-A1 Organic Species that Facilitate Charge Transfer to or from Nanostructures NANOSYS, INC. (US) 2009-02-26 US disclosed
US-7438833-B2 Organic species that facilitate charge transfer to or from nanostructures NANOSYS, INC. (US) 2008-10-21 US disclosed
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO disclosed