SCHEMBL1012341

SCHEMBL1012341

Cc1cc(N=Nc2ccc(C#N)cc2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
BRD4 O60885 1/20 0.47
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5395473 1.00 TDP1 (0.56) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL2487414 0.84 TDP1 (0.71) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL11647594 0.84 TDP1 (0.71) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL11795518 0.83 NPC1 (0.58) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL11795525 0.83 NPC1 (0.58) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL11648752 0.81 TDP1 (0.62) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL11648754 0.81 TDP1 (0.62) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL16684229 0.81 NPC1 (0.63) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL29848589 0.81 TDP1 (0.62) TDP1CYP3A4MAPK1TSHRSMN1; SMN2
SCHEMBL627108 0.81 CYP3A4 (0.50) TDP1CYP3A4MAPK1TSHRSMN1; SMN2

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
EP-1432745-B1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY BAYER MATERIALSCIENCE AG (DE) 2011-01-05 EP disclosed
US-7214451-B2 Rewriteable optical recording material having good solubility BAYER AKTIENGESELLSCHAFT (DE) 2007-05-08 US disclosed
EP-1266375-B1 OPTICAL STORAGE METHOD FOR REWRITABLE DIGITAL DATA CARRIERS BAYER MATERIALSCIENCE AG (DE) 2005-09-21 EP disclosed
WO-2003029895-A9 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY BAYER AG (DE) 2004-09-02 WO disclosed
EP-1433024-A1 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY Bayer Aktiengesellschaft (DE) 2004-06-30 EP disclosed
US-20030113664-A1 Rewriteable optical recording material having good solubility COVESTRO DEUTSCHLAND AG (DE) 2003-06-19 US disclosed
US-20030096065-A1 Having a unit from an azobenzene dye; if dye is not mesogenic, polymer contains unit having mesogenic group BAYER AKTIENGESELLSCHAFT (DE) 2003-05-22 US disclosed
WO-2003029895-A1 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY BAYER AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
US-20030049549-A1 Optical storage method for rewritable digital data carriers BAYER AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed