SCHEMBL21186009

SCHEMBL21186009

O=C(Nc1nc2ccc(Nc3ccccc3)cc2s1)c1ncccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.55
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
OPRK1 P41145 3/20 0.50
DYRK1A Q13627 2/20 0.50
PKM P14618 2/20 0.50
POLB P06746 1/20 0.50
AGTR1 P30556 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
PIK3CA P42336 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KMT2A Q03164 2/20 0.47

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
SCHEMBL21186275 0.85 PIK3CG (0.62) SCDNPC1RAB9AMAPTHTT
SCHEMBL21186014 0.83 SCD (0.61) SCDNPC1RAB9AMAPTHTT
SCHEMBL21186111 0.83 MAPT (0.53) NPC1RAB9AMAPTHTTOPRK1
SCHEMBL23607120 0.83 TOP1 (0.61) SCDNPC1RAB9AHTTDYRK1A
SCHEMBL31219257 0.82 NPC1 (0.53) SCDNPC1RAB9AMAPTHTT
SCHEMBL22130324 0.82 NPC1 (0.53) SCDNPC1RAB9AMAPTHTT
SCHEMBL21186010 0.82 MAPT (0.52) SCDNPC1RAB9AMAPTHTT
SCHEMBL21186001 0.82 MAPT (0.67) SCDNPC1RAB9AMAPTHTT
SCHEMBL21186118 0.81 SCD (0.52) SCDNPC1RAB9AMAPTHTT
SCHEMBL24706989 0.81 NPC1 (0.45) NPC1RAB9AMAPTHTTOPRK1

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