SCHEMBL4699606

SCHEMBL4699606

COc1ccc(CC(CC(N)OC(=O)C(F)(F)F)c2c3cccc(-c4c(C)cc(C)cc4C)c3nn2C)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
LDHA P00338 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GALR3 O60755 1/20 0.31
QPCT Q16769 1/20 0.31
PKM P14618 2/20 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
SCHEMBL4703707 0.89 CRHR1 (0.33) HPGDALDH1A1
SCHEMBL4697907 0.84 MAPT (0.31) HTTMAPTLMNAHPGDALDH1A1
SCHEMBL4702934 0.82 CRHR1 (0.34)
SCHEMBL4702629 0.82 CRHR1 (0.35) MAPTLMNASMN1; SMN2LDHAALDH1A1
Trifluoroacetic Acid SCHEMBL4699604 0.72 KDM4E (0.44) LMNASMN1; SMN2KDM4EPOLBPKM
SCHEMBL4702631 0.71 POLB (0.36) MAPTLMNASMN1; SMN2KDM4EPOLB
Trifluoroacetic Acid SCHEMBL4698436 0.71 CRHR1 (0.44) LMNAHPGDMAPK1
SCHEMBL4702273 0.68 CRHR1 (0.40) MAPTALDH1A1
SCHEMBL4698858 0.68 CRHR1 (0.45)
SCHEMBL27615414 0.67 BCHE (0.33) HTTMAPTLMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP claimed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO claimed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed