SCHEMBL18913034

SCHEMBL18913034

O=CCNC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.42
KIF11 P52732 1/20 0.40
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TK1 P04183 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABAT P80404 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL17875119 0.82 KIF11 (0.44) KCNN4KIF11L3MBTL1ALDH1A1KMT2A
SCHEMBL11417864 0.81 KCNN4 (0.46) KCNN4KIF11ALDH1A1MEN1MAPT
SCHEMBL14564460 0.78 EPHX2 (0.50) KCNN4HTTL3MBTL1ALDH1A1MEN1
SCHEMBL4199968 0.77 KCNN4 (0.56) KCNN4KIF11ALDH1A1MEN1MAPT
SCHEMBL17916522 0.74 HDAC3 (0.51) KCNN4KIF11L3MBTL1MAPTRAB9A
SCHEMBL17875124 0.73 KIF11 (0.39) KCNN4KIF11HTTALDH1A1MEN1
SCHEMBL28544425 0.72 KCNN4 (0.55) KCNN4KIF11HTTL3MBTL1ALDH1A1
SCHEMBL17916338 0.71 MTNR1A (0.49) KCNN4KIF11L3MBTL1ALDH1A1RAB9A
SCHEMBL868147 0.70 EPHX2 (0.58) L3MBTL1ALDH1A1MEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL10984929 0.70 KCNN4 (0.48) KCNN4KIF11HTTL3MBTL1ALDH1A1

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-2017089607-A1 DERIVATIVES OF GAMMA-AMANITIN HEIDELBERG PHARMA GMBH (DE) 2017-06-01 WO disclosed