SCHEMBL17845641

SCHEMBL17845641

COc1ccc(OC)c(NC2CCO[CH]C2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 5/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17845533 0.85 KMT2A (0.42) LMNAKDM4EGAAKMT2AMAPT
SCHEMBL17845715 0.83 SMN1; SMN2 (0.38) LMNAKDM4EGAAKMT2AMAPT
SCHEMBL17845612 0.80 HPGD (0.38) KDM4EGAAMAPTL3MBTL1USP2
SCHEMBL17845537 0.78 RAB9A (0.43) LMNAKMT2AMAPTMEN1L3MBTL1
SCHEMBL17845485 0.72 GAA (0.42) LMNAKDM4EGAAKMT2AMAPT
SCHEMBL17845789 0.68
SCHEMBL17845714 0.67 SMN1; SMN2 (0.38) LMNAGAAMAPTL3MBTL1NPSR1
SCHEMBL17845593 0.67 TAS1R3 (0.40) LMNAGAAMAPTNPSR1POLB
SCHEMBL17845668 0.66 EPHX2 (0.35) LMNAALDH1A1
SCHEMBL17845760 0.65 ALDH1A1 (0.40) LMNAGAAALDH1A1SMN1; SMN2

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-3233860-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS Univerzita Palackého V Olomouci (CZ) 2017-10-25 EP disclosed
WO-2016095881-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-23 WO disclosed