SCHEMBL5744124

SCHEMBL5744124

N#CC=C(N)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 2/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
ALDH2 P05091 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5744120 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3616506 0.80 KDM4E (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3616503 0.80 KDM4E (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL151046 0.75 MAPT (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL28960782 0.75 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL151045 0.75 MAPT (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL13545534 0.73 LMNA (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL923732 0.71 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL923731 0.71 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12303043 0.71 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed