SCHEMBL17845784

SCHEMBL17845784

COc1ccccc1NC1CCO[C]1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL17845555 0.84 MAPT (0.43) SMN1; SMN2MAPTALOX15TSHRLMNA
SCHEMBL17845787 0.82 MAPT (0.40) SMN1; SMN2MAPTALOX15TSHRLMNA
SCHEMBL17845615 0.74 ROCK2 (0.46) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL1645759 0.72 DRD2 (0.52) SMN1; SMN2MAPTALOX15TSHRLMNA
SCHEMBL19859390 0.72 BRD4 (0.48) SMN1; SMN2MAPTLMNANPC1ALDH1A1
SCHEMBL1646836 0.69 LMNA (0.55) SMN1; SMN2HPGDMAPTALOX15TSHR
SCHEMBL17845593 0.69 TAS1R3 (0.40) SMN1; SMN2MAPTALOX15TSHRLMNA
SCHEMBL19915073 0.68 NPSR1 (0.61) SMN1; SMN2HPGDMAPTALOX15TSHR
SCHEMBL17845388 0.68 GAA (0.38) SMN1; SMN2MAPTNPSR1NPC1ALDH1A1
SCHEMBL31218885 0.67 DRD2 (0.43) SMN1; SMN2HPGDMAPTALOX15TSHR

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