SCHEMBL8499790

SCHEMBL8499790

C=CC(=O)c1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.34
RECQL P46063 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
SCHEMBL8500358 0.97 KDM4E (0.38) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL8500377 0.95 MAPT (0.39) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL15038556 0.81 MAPT (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL14218373 0.81 MAPT (0.52) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL5455878 0.80 MAPT (0.55) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL8502478 0.79 MAPT (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL221664 0.78 KMT2A (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5469275 0.78 MAPT (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL5455966 0.77 AR (0.44) MAPT
SCHEMBL5467390 0.77 MAPT (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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-0757049-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 1999-03-24 EP disclosed
US-5837673-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1998-11-17 US disclosed
EP-0757049-A1 Camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1997-02-05 EP disclosed