SCHEMBL17845533

SCHEMBL17845533

COc1ccc(OC)c(NC2CCO[CH]C2F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 5/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL17845641 0.85 LMNA (0.40) KMT2AMEN1NPSR1LMNAKDM4E
SCHEMBL17845593 0.83 TAS1R3 (0.40) NPSR1LMNAGAAMAPTPOLB
SCHEMBL17845587 0.80 GAA (0.39) NPSR1KDM4EGAAMAPTL3MBTL1
SCHEMBL17845581 0.78 RAB9A (0.43) KMT2AMEN1LMNAMAPTL3MBTL1
SCHEMBL17845485 0.69 GAA (0.42) KMT2AMEN1NPSR1LMNAKDM4E
SCHEMBL17845582 0.67 KMT2A (0.42) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL17845715 0.67 SMN1; SMN2 (0.38) KMT2ANPSR1LMNAKDM4EGAA
SCHEMBL17845714 0.67 SMN1; SMN2 (0.38) NPSR1LMNAGAAMAPTL3MBTL1
SCHEMBL17845600 0.65 ALDH1A1 (0.40) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL17845550 0.65 SYK (0.38) KMT2AMEN1LMNAKDM4EHTT

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