SCHEMBL21186288

SCHEMBL21186288

Nc1nc2ccc(Oc3cnc(Cl)cn3)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
TP53 P04637 3/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
CYP3A4 P08684 5/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
CYP2D6 P10635 1/20 0.51
GAA P10253 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL21186211 0.84 RAB9A (0.63) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL20568080 0.80 RAB9A (0.84) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL25260720 0.79 RAB9A (0.57) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL31114515 0.79 RAB9A (0.57) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL31114535 0.78 RAB9A (0.63) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL14397008 0.78 RAB9A (0.63) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL7285119 0.77 RAB9A (0.75) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186245 0.76 RAB9A (0.68) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL25257398 0.76 SCN4A (0.60) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL30450378 0.76 SCN4A (0.60) RAB9ATP53NPC1SMN1; SMN2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed