SCHEMBL5068529

SCHEMBL5068529

Cc1ccc([C]=O)c(NCCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.56
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7136396 0.77 KAT2B (0.57) KAT2BGUCY1A1GUCY1B1HDAC6
SCHEMBL5068531 0.75 KAT2B (0.56) KAT2BGUCY1A1GUCY1B1HDAC6
SCHEMBL7137884 0.73 HDAC6 (0.65) KAT2BHDAC6
SCHEMBL10126543 0.73 KAT2B (0.54) KAT2BGUCY1A1GUCY1B1HDAC6
SCHEMBL14981759 0.73 KAT2B (0.97) KAT2B
SCHEMBL4201098 0.73 RAB9A (0.49) HDAC6
SCHEMBL2611834 0.72 KAT2B (0.52) KAT2BGUCY1A1GUCY1B1HDAC6
SCHEMBL27729887 0.72 MEN1 (0.46) HDAC6
Hydrochloric Acid SCHEMBL513348 0.72 KAT2B (1.00) KAT2B
SCHEMBL29416813 0.70 KAT2B (1.00) KAT2B

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
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP claimed