SCHEMBL17845659

SCHEMBL17845659

Oc1cccc(NC2CCO[CH]C2F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 2/20 0.34
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
EPHX2 P34913 1/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BAZ1A Q9NRL2 1/20 0.31
HTR7 P34969 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
SCHEMBL17845628 0.84 KDM4E (0.42) NPC1KMT2AALDH1A1MEN1EPHX2
SCHEMBL17845655 0.83 TSHR (0.37) TSHRCYP3A4NPC1KMT2AALDH1A1
SCHEMBL17845643 0.83 KMT2A (0.37) TSHRCYP3A4NPC1KMT2AALDH1A1
SCHEMBL17845512 0.83 FADS1 (0.42) TSHRCYP3A4NPC1KMT2AALDH1A1
SCHEMBL17845492 0.82 ALDH1A1 (0.35) KMT2AALDH1A1MEN1
SCHEMBL17845600 0.82 ALDH1A1 (0.40) ALDH1A1LMNARECQL
SCHEMBL17845581 0.80 RAB9A (0.43) NPC1KMT2AALDH1A1MEN1RAPGEF4
SCHEMBL17845550 0.77 SYK (0.38) CYP3A4NPC1KMT2AALDH1A1MEN1
SCHEMBL17845778 0.74 DDB1 (0.36) NPC1LMNARAB9A
SCHEMBL17845587 0.70 GAA (0.39) TSHRNPC1ALDH1A1EPHX2ALOX15

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