SCHEMBL3662809

SCHEMBL3662809

COC(=O)C(C)(C)COc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
JAK2 O60674 1/20 0.33
ZAP70 P43403 1/20 0.33
P2RX3 P56373 5/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
MCHR1 Q99705 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
AMY1A P0DUB6 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
SCHEMBL7842206 1.00 KMT2A (0.33) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL13929317 0.94 MEN1 (0.36) KMT2AP2RX3MEN1AMY1AALDH1A1
SCHEMBL699140 0.89 PTGDR2 (0.39) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL13929371 0.89 KMT2A (0.34) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL699507 0.88 FBP1 (0.38) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL1738979 0.87 KMT2A (0.34) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL13929367 0.86 KMT2A (0.33) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL3663350 0.85 IDO1 (0.40) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL3662827 0.84 KMT2A (0.34) KMT2AMAPTKDM4ETDP1JAK2
SCHEMBL7841390 0.84 KMT2A (0.38) KMT2AMAPTKDM4ETDP1JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235017-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080488-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed