SCHEMBL8097613

SCHEMBL8097613

COc1ccc(-c2c(N)c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c(N)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 1/20 0.54
APP P05067 2/20 0.50
ESR2 Q92731 1/20 0.50
PTPN1 P18031 1/20 0.49
HEXA P06865 1/20 0.49
HEXB P07686 1/20 0.49
PTGS2 P35354 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL24561 0.91 TDP1 (0.67) TDP1MAPK1CA12CA1CA2
SCHEMBL20323072 0.84 CA1 (0.69) TDP1MAPK1CA12CA1CA2
SCHEMBL4057755 0.83 TDP1 (0.45) TDP1MAPK1CA12CA1CA2
SCHEMBL28724319 0.83 TDP1 (0.54) TDP1MAPK1CA12CA1CA2
SCHEMBL27567027 0.79 TDP1 (0.50) TDP1MAPK1CA12CA1CA2
SCHEMBL9151672 0.78 CA1 (0.79) TDP1MAPK1CA12CA1CA2
SCHEMBL6733562 0.78 CA1 (0.79) TDP1MAPK1CA12CA1CA2
SCHEMBL197522 0.78 CA1 (0.79) TDP1MAPK1CA12CA1CA2
SCHEMBL6538840 0.78 MAPT (0.45) TDP1MAPK1CA12CA1CA2
SCHEMBL1926936 0.77 TDP1 (0.84) TDP1MAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060224-A1 NEAR INFRARED-ABSORBING ELECTROCHROMIC COMPOUNDS AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 2000-12-20 EP disclosed
WO-1999045081-A1 NEAR INFRARED-ABSORBING ELECTROCHROMIC COMPOUNDS AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 1999-09-10 WO disclosed