SCHEMBL17845520

SCHEMBL17845520

Clc1cccc(NC2CCO[CH]C2Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
CXCR2 P25025 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.32
P2RX7 Q99572 2/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL17845619 0.88 KMT2A (0.43) KMT2AMEN1P2RX7
SCHEMBL17845614 0.78 GAA (0.40) KMT2AMEN1
SCHEMBL17845724 0.77 RAB9A (0.38) KMT2AMEN1LMNAMAPT
SCHEMBL17845582 0.75 KMT2A (0.42) KMT2AMEN1P2RX7
SCHEMBL17845686 0.73 FADS1 (0.43) KMT2AMEN1LMNATSHRMAPT
SCHEMBL17845622 0.72 SMN1; SMN2 (0.40) LMNA
SCHEMBL17845543 0.71 DDB1 (0.39) KMT2AMEN1LMNAMAPK14MAPT
SCHEMBL17845668 0.71 EPHX2 (0.35) LMNA
SCHEMBL17845655 0.70 TSHR (0.37) KMT2AMEN1LMNATSHRMAPT
SCHEMBL17845596 0.70 KDM4E (0.41) KMT2AMEN1MAPT

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