SCHEMBL3827416

SCHEMBL3827416

Cc1c[nH]c(-c2cc(C(=O)O)cc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 2/20 0.44
▸ PIN1 Q13526 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ SRD5A2 P31213 1/20 0.35

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
SCHEMBL1567237 0.78 NR2E1 (0.43) PIN1XDHNOTUM
SCHEMBL574203 0.78 KIF11 (0.42) —
SCHEMBL4418714 0.75 MAPK14 (0.45) —
SCHEMBL17048588 0.75 RXRA (0.72) RXRARXRBRXRGCES2SLC6A2
SCHEMBL7387099 0.74 KDM4E (0.51) RXRARXRBALDH1A1KDM4EMEN1
SCHEMBL4412667 0.74 BTK (0.47) —
SCHEMBL25301433 0.72 RXRA (0.44) RXRARXRBRXRGMEN1KMT2A
SCHEMBL30497176 0.72 RXRA (0.44) RXRARXRBRXRGMEN1KMT2A
SCHEMBL2996698 0.71 RXRA (0.50) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL3082270 0.71 RXRA (0.72) RXRARXRBRXRGCES2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 — — EP disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 — — EP disclosed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 — — EP disclosed
EP-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 — — EP disclosed
EP-1858521-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHBITORS IRM, LLC (BM) 2007-11-28 — — EP disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 — — EP disclosed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 — — EP disclosed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 — — WO disclosed
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 — — WO disclosed
WO-2006101783-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-09-28 — — WO disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 — — EP disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 — — WO disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 — — EP disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 — — WO disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 — — WO disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 — — WO disclosed
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