SCHEMBL17845581

SCHEMBL17845581

COc1cccc(NC2CCO[CH]C2F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ROCK2 O75116 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
ICMT O60725 1/20 0.38
STAT1 P42224 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
RAPGEF4 Q8WZA2 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
SCHEMBL17845550 0.86 SYK (0.38) RAB9ANPC1ALDH1A1LMNAROCK2
SCHEMBL17845537 0.84 RAB9A (0.43) RAB9ANPC1L3MBTL1ALDH1A1LMNA
SCHEMBL17845540 0.84 RAB9A (0.43) RAB9ANPC1L3MBTL1ALDH1A1LMNA
SCHEMBL17845587 0.83 GAA (0.39) RAB9ANPC1L3MBTL1ALDH1A1MAPT
SCHEMBL17845628 0.81 KDM4E (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL17845512 0.80 FADS1 (0.42) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL17845659 0.80 TSHR (0.37) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL17845600 0.78 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL17845533 0.78 KMT2A (0.42) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL17845593 0.76 TAS1R3 (0.40) RAB9ANPC1ALDH1A1LMNAMAPT

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