Isatin

Isatin

SCHEMBL28193470

O=C1Nc2ccccc2C1=O.c1ccc2ccccc2c1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.87
▸ MAOB P27338 9/20 0.87
▸ LRRK2 Q5S007 3/20 0.59
▸ ACVR1 Q04771 2/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ FER P16591 1/20 0.59
▸ LTK P29376 1/20 0.59
▸ CDK8 P49336 1/20 0.59
▸ DYRK1B Q9Y463 1/20 0.59
▸ CASP3 P42574 1/20 0.56
▸ CASP2 P42575 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CASP8 Q14790 1/20 0.56
▸ CSNK1G1 Q9HCP0 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 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
Isatin SCHEMBL34016 0.93 MAOA (1.00) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL973760 0.93 MAOA (1.00) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL1590864 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL4092377 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL11646710 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL7061560 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL23256320 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL10833581 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL28441354 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA
Isatin SCHEMBL2259764 0.91 MAOA (0.95) MAOAMAOBLRRK2ACVR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501161-A A kind of green catalysis synthetic method of Isatine derivatives 陕西师范大学 2017-12-22 — — CN disclosed
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