SCHEMBL7012831

SCHEMBL7012831

Nc1ccc(C(=C2C(=O)Nc3ccccc32)c2ccc(N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.67
▸ MAPT P10636 6/20 0.47
▸ APP P05067 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FER P16591 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ IDO1 P14902 3/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL7006381 0.86 TDP1 (0.69) TDP1MAPTMAOAMAOBPDGFRA
SCHEMBL7014287 0.84 TDP1 (0.71) TDP1MAPTMAOAMAOBPDGFRA
SCHEMBL7007571 0.84 TDP1 (0.67) TDP1MAPTMAOAMAOBPDGFRA
SCHEMBL14448871 0.81 TDP1 (0.68) TDP1MAPTMAOAMAOBPDGFRA
SCHEMBL5468788 0.81 TDP1 (0.68) TDP1MAPTMAOAMAOBPDGFRA
SCHEMBL725960 0.80 TDP1 (1.00) TDP1MAPTAPPSNCALRRK2
SCHEMBL29670839 0.80 TDP1 (1.00) TDP1MAPTAPPSNCALRRK2
SCHEMBL7012183 0.80 TDP1 (0.66) TDP1MAPTAPPSNCAMAOA
SCHEMBL6319657 0.76 KDR (0.43) TDP1MAPTAPPSNCAMAOA
SCHEMBL6319654 0.76 KDR (0.43) TDP1MAPTAPPSNCAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815859-B1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2003-06-18 — — EP disclosed
US-5977130-A CARDIOVASCULAR DISORDERS TAIHO PHARMEUTICAL CO., LTD. (JP) 1999-11-02 — — US disclosed
EP-0815859-A1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-01-07 — — EP disclosed
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