SCHEMBL19780368

SCHEMBL19780368

CC1[C@@H](C)C1(N)n1ncc(C(=O)O)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ XDH P47989 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25629250 0.72 KDM4E (0.37) KDM4EXDHALDH1A1TDP1
SCHEMBL10365692 0.68 KDM4E (0.34) KDM4EXDHALDH1A1TDP1
SCHEMBL19780118 0.68 ALDH1A1 (0.33) KDM4EXDHALDH1A1TDP1
SCHEMBL10890676 0.64 RAB9A (0.49) XDHALDH1A1TDP1
SCHEMBL10720763 0.64 ALDH1A1 (0.39) KDM4EXDHALDH1A1
SCHEMBL6963674 0.64 POLB (0.55) KDM4EXDHALDH1A1
SCHEMBL10892897 0.62 XDH (0.43) KDM4EXDHALDH1A1TDP1
SCHEMBL10894503 0.61 KDM4E (0.48) KDM4EXDHALDH1A1
SCHEMBL10895563 0.61 PTPN1 (0.54) KDM4EALDH1A1
SCHEMBL2870416 0.61 PTPN1 (0.46) XDH

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
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 — — WO disclosed
Send feedback