SCHEMBL3581208

SCHEMBL3581208

COc1ccc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.45
LPAR5 Q9H1C0 3/20 0.45
TSHR P16473 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
C5AR1 P21730 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KLK1 P06870 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL3574025 0.92 C5AR1 (0.46) LPAR1LPAR5LPAR2SMN1; SMN2TP53
SCHEMBL3584423 0.86 LPAR1 (0.43) LPAR1LPAR5LPAR2SMN1; SMN2TP53
SCHEMBL3569791 0.85 LPAR1 (0.43) LPAR1LPAR5TSHRLPAR2SMN1; SMN2
SCHEMBL3589450 0.83 RECQL (0.44) LPAR1LPAR5LPAR2SMN1; SMN2TP53
SCHEMBL3587845 0.83 LPAR1 (0.42) LPAR1LPAR5LPAR2CA12CA1
SCHEMBL3576810 0.82 LMNA (0.42) LPAR1LPAR5SMN1; SMN2C5AR1KDM4E
SCHEMBL3584396 0.78 C5AR1 (0.44) LPAR1LPAR5SMN1; SMN2C5AR1KDM4E
SCHEMBL3573515 0.77 C5AR1 (0.46) LPAR1LPAR5LPAR2TP53CA12
SCHEMBL3581531 0.76 C5AR1 (0.43) LPAR1LPAR5SMN1; SMN2C5AR1KDM4E
SCHEMBL3569921 0.76 SERPINE1 (0.47) SMN1; SMN2C5AR1KDM4EHTTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed