SCHEMBL3708581

SCHEMBL3708581

COC(=O)Cc1ccc(Sc2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.41
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
MAPT P10636 6/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL3714425 0.93 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL3703092 0.86 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL3705461 0.86 LPAR1 (0.40) LPAR1LPAR3LPAR2LMNAKDM4E
SCHEMBL3702317 0.84 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL16496529 0.84 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3709297 0.84 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3701872 0.83 LPAR1 (0.39) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL3705147 0.82 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL2335478 0.82 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTLMNA
SCHEMBL3706562 0.81 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTLMNA

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