SCHEMBL3416670

SCHEMBL3416670

O=c1c2ccccc2sc2cccc(Oc3ccccc3I)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR3 P46089 1/20 0.37
DUSP3 P51452 1/20 0.35

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
SCHEMBL8091142 0.91 MAPT (0.56) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL20222747 0.88 GPR3 (0.42) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL51305 0.82 NPC1 (0.51) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL29731425 0.82 NPC1 (0.51) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL2789108 0.78 NPC1 (0.70) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL30925001 0.78 NPC1 (0.70) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL28901490 0.78 MAPT (0.48) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL8096279 0.76 MAPT (0.51) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL6688700 0.76 NPC1 (0.51) NPC1RAB9AMAPTHPGDCYP1A2
SCHEMBL20222285 0.75 GPR3 (0.42) RAB9AMAPTHPGDKMT2AMEN1

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
EP-2154213-A1 Ink-jet ink composition, and ink-jet recording method Fujifilm Corporation (JP) 2010-02-17 EP disclosed