SCHEMBL5456903

SCHEMBL5456903

O=C=Nc1cccc(O)c1N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
DBH P09172 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CA2 P00918 4/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CA1 P00915 2/20 0.35
EGFR P00533 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL11855962 0.89 GABRA1 (0.50) CYP3A4GABRA1GABRB2LMNANPC1
SCHEMBL109280 0.86 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL5097820 0.82 CYP3A4 (0.50) CYP3A4GABRA1GABRB2LMNANPC1
SCHEMBL632309 0.82 SMN1; SMN2 (0.54) CYP3A4LMNANPC1MAPTSMN1; SMN2
SCHEMBL11300999 0.80 CYP3A4 (0.47) CYP3A4GABRA1GABRB2LMNANPC1
SCHEMBL28570936 0.80 CYP3A4 (0.56) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL1064753 0.79 GABRA1 (0.47) CYP3A4GABRA1GABRB2LMNAMAPT
SCHEMBL6901482 0.79 GABRA1 (0.47) CYP3A4GABRA1GABRB2LMNANPC1
SCHEMBL14261702 0.79 CYP3A4 (0.73) CYP3A4GABRA1GABRB2LMNANPC1
SCHEMBL17007517 0.78 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1HPGD

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
CN-115717023-A Polyurea floor paint 宝力科技(宁国)有限公司 2023-02-28 CN claimed
EP-0589644-B1 Resin composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-11-28 EP claimed
CN-115717023-A Polyurea floor paint 宝力科技(宁国)有限公司 2023-02-28 CN disclosed
CN-115717023-A Polyurea floor paint 宝力科技(宁国)有限公司 2023-02-28 CN disclosed
CN-109970951-A A kind of synthetic method of polyepoxy epoxy resin 烟台大学 2019-07-05 CN disclosed
US-20070042907-A1 Dispersion composition and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1681174-A1 DISPERSION COMPOSITION AND RECORDING MATERIAL Chemipro Kasei Kaisha, Ltd. (JP) 2006-07-19 EP disclosed
EP-1572784-A1 RECYCLABLE CROSSLINKED POLYMERS WITH SATURATED MAIN CHAIN AND THERMALLY REVERSIBLE URETHANE CROSSLINK POINTS The Furukawa Electric Co., Ltd. (JP) 2005-09-14 EP disclosed
WO-2004037901-A1 RECYCLABLE CROSSLINKED POLYMERS WITH SATURATED MAIN CHAIN AND THERMALLY REVERSIBLE URETHANE CROSSLINK POINTS THE FURUKAWA ELECTRIC CO., LTD. (JP) 2004-05-06 WO disclosed