SCHEMBL3710286

SCHEMBL3710286

CCOC(=O)c1cccc(-c2cccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACR P10323 1/20 0.38
POLB P06746 1/20 0.37
FTO Q9C0B1 1/20 0.37
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 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
SCHEMBL3707635 0.93 CTSA (0.35) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3704916 0.93 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1CYP1A2KDM4E
SCHEMBL3711048 0.86 ALDH1A1 (0.37) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3714395 0.84 NR1H4 (0.40) MAPTALDH1A1HPGDSMN1; SMN2ACR
SCHEMBL3708502 0.84 IP6K1 (0.40) L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3709682 0.83 FTO (0.39) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3711309 0.83 FTO (0.36) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL3710274 0.82 JMJD6 (0.38) MAPTKDM4EFTONPC1RAB9A
SCHEMBL3705734 0.82 KMO (0.39)
SCHEMBL3707844 0.81 L3MBTL1 (0.38) MAPTALDH1A1L3MBTL1CYP1A2SMN1; SMN2

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed