SCHEMBL6283828

SCHEMBL6283828

CCCCCc1ccc2nc(-c3ccc(O)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
STAT3 P40763 1/20 0.59
ATM Q13315 1/20 0.59
ESR1 P03372 4/20 0.59
ESR2 Q92731 2/20 0.59
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL7822732 0.99 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL7831287 0.92 ESR1 (0.63) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8911558 0.90 TLR8 (0.50) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL6290855 0.85 TLR8 (0.54) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6289604 0.84 TLR8 (0.55) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL7823855 0.83 CASP3 (0.61) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL7825130 0.82 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL9618095 0.82 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL6290229 0.81 PSMB5 (0.52) LMNAHIF1ATLR8PSMB5
SCHEMBL8977263 0.80 TLR8 (0.42) NPC1RAB9ASMN1; SMN2MAPTSTAT3

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
JP-2005330204-A MEGAKARYOCYTE PRODUCTION-INDUCING AGENT OTSUKA PHARMACEUT CO LTD 2005-12-02 JP disclosed