SCHEMBL18535211

SCHEMBL18535211

COc1ccc(C)c2c(I)cc(C)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
NQO2 P16083 3/20 0.41
LMNA P02545 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
CYP19A1 P11511 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL18535210 0.84 MAPT (0.83) MAPTNQO2LMNANPC1RAB9A
SCHEMBL7762455 0.78 MAPT (0.61) MAPTNQO2LMNANPC1RAB9A
SCHEMBL12855186 0.78 MAPT (0.61) MAPTNQO2LMNANPC1RAB9A
SCHEMBL28113797 0.72 MAPT (0.69) MAPTNQO2LMNANPC1RAB9A
SCHEMBL17502167 0.70 MAPT (0.60) MAPTNQO2LMNACYP19A1TDP1
SCHEMBL17502192 0.70 MAPT (0.60) MAPTNQO2LMNANPC1RAB9A
SCHEMBL10627274 0.68 OPRK1 (0.56) MAPTNQO2LMNANPC1RAB9A
SCHEMBL1635157 0.68 MAPT (0.49) MAPTNQO2LMNANPC1RAB9A
SCHEMBL2871982 0.68 MAPT (0.57) MAPTNQO2LMNANPC1RAB9A
SCHEMBL441437 0.68 MAPT (0.57) MAPTNQO2NPC1RAB9AALDH1A1

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-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed