SCHEMBL19986470

SCHEMBL19986470

CC(CN)CNc1c(Cl)cncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LATS1 O95835 1/20 0.37
GAA P10253 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
SCN4A P35499 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ESR1 P03372 1/20 0.30
P2RX7 Q99572 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL28585046 0.79 MAPT (0.35) MAPTGAAKMT2AP2RX7
SCHEMBL19986448 0.74 MAPT (0.40) MAPTGAAITGB1ITGA4KDM4E
SCHEMBL28579955 0.72 MAPT (0.31) MAPTP2RX7
SCHEMBL19986641 0.71 STK17A (0.37) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL8923850 0.66 MAPT (0.50) MAPTGAAITGB1ITGA4KDM4E
SCHEMBL26049474 0.65 RXFP1 (0.35) MAPTGAAKDM4EMEN1ALDH1A1
SCHEMBL19986703 0.64 MAPT (0.38) MAPTGAAITGB1ITGA4KDM4E
SCHEMBL28577567 0.63 HTR2A (0.33) MAPTHRH4HRH3
SCHEMBL28622324 0.62 MAPT (0.31) MAPT
SCHEMBL1665457 0.62 MAPT (0.42) MAPTGAAKDM4EMEN1ALDH1A1

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-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed