SCHEMBL3705461

SCHEMBL3705461

COC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)nc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
WNT3A P56704 4/20 0.33
HDAC1 Q13547 1/20 0.33
RET P07949 1/20 0.33
PTGER4 P35408 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3703083 0.93 LPAR1 (0.47) LPAR1LPAR3LPAR2HIF1AWNT3A
SCHEMBL3704739 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2HIF1APTGER4
SCHEMBL3705536 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2HIF1AWNT3A
SCHEMBL3708581 0.86 LPAR1 (0.41) LPAR1LPAR3LPAR2HIF1ALMNA
SCHEMBL3705147 0.82 LPAR1 (0.43) LPAR1LPAR3LPAR2LMNASLC26A6
SCHEMBL3705433 0.82 LPAR1 (0.55) LPAR1LPAR3LPAR2WNT3ARET
SCHEMBL2335478 0.82 LPAR1 (0.51) LPAR1LPAR3LPAR2LMNASLC26A6
SCHEMBL3703620 0.82 LPAR1 (0.36) LPAR1LPAR3LPAR2SLC26A6KDM4E
SCHEMBL3702178 0.81 LPAR1 (0.49) LPAR1LPAR3LPAR2HIF1ASLC26A6
SCHEMBL3715780 0.80 LPAR1 (0.47) LPAR1LPAR3LPAR2SLC26A6KDM4E

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