SCHEMBL19780673

SCHEMBL19780673

CCCn1cc(C(=O)O)c(C#N)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.35
XDH P47989 1/20 0.34
CTSK P43235 4/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL8785433 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL14811911 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL24117439 0.76 KMT2A (0.31) ALDH1A1KMT2A
SCHEMBL28309161 0.73 JAK3 (0.41) L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL29224288 0.73 CTSK (0.35) KMT2ACTSK
SCHEMBL2594739 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2ARECQL
SCHEMBL16246770 0.71 KLKB1 (0.57)
SCHEMBL8693769 0.70 HCAR2 (0.40) L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL22446424 0.69 ELANE (0.31) KDM4E
SCHEMBL8693610 0.68 HCAR2 (0.43) L3MBTL1ALDH1A1KDM4EHTT

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