SCHEMBL18752199

SCHEMBL18752199

CC(=O)/C=C\C=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 4/20 0.47
CYP2C19 P33261 4/20 0.47
RECQL P46063 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 2/20 0.47
DNMT1 P26358 1/20 0.47
CYP1A2 P05177 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX12 P18054 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 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
SCHEMBL8528670 0.89 POLB (0.45) POLBTDP1MEN1KMT2AL3MBTL1
SCHEMBL8528668 0.89 POLB (0.45) POLBTDP1MEN1KMT2AL3MBTL1
SCHEMBL951880 0.80
SCHEMBL15043324 0.80
SCHEMBL951882 0.80
SCHEMBL821048 0.80 TSHR (0.46) TDP1MEN1KMT2AMAPTRECQL
SCHEMBL11784960 0.80 TSHR (0.46) TDP1MEN1KMT2AMAPTRECQL
SCHEMBL820889 0.80 TSHR (0.46) TDP1MEN1KMT2AMAPTRECQL
SCHEMBL820895 0.80 TSHR (0.46) TDP1MEN1KMT2AMAPTRECQL
SCHEMBL28045540 0.73 MAPT (0.56) POLBTDP1MEN1KMT2AL3MBTL1

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-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed