SCHEMBL17845453

SCHEMBL17845453

Cl[C]1OCCC1Nc1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
P2RX7 Q99572 3/20 0.38
MAPK14 Q16539 1/20 0.36
CXCR2 P25025 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL17845726 0.87 KMT2A (0.40) KMT2AP2RX7MAPT
SCHEMBL17845386 0.78 ROCK2 (0.36) P2RX7OPRL1
SCHEMBL17845502 0.77 MAPT (0.47) MEN1KMT2AMAPK14TSHRLMNA
SCHEMBL17845720 0.77 NPC1 (0.34) MEN1KMT2AP2RX7CXCR2LMNA
SCHEMBL17845530 0.77 GAA (0.41) MEN1KMT2AP2RX7TSHR
SCHEMBL17845706 0.74 RAB9A (0.40) MEN1KMT2AP2RX7MAPK14LMNA
SCHEMBL17845787 0.74 MAPT (0.40) KMT2ATSHRLMNAMAPT
SCHEMBL17845380 0.73 DDB1 (0.40) MAPT
SCHEMBL17845348 0.71 FADS1 (0.52) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL17845762 0.70 EPHX2 (0.36) KMT2AP2RX7LMNA

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