Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4699604

COc1ccc(CNCCCc2c3cccc(-c4c(C)cc(C)cc4C)c3nn2C)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4702626 0.92 HEXA (0.43) KDM4ETDP1HEXAHEXBPOLB
Trifluoroacetic Acid SCHEMBL4703706 0.89 MEN1 (0.40) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL4702271 0.81 CRHR1 (0.39) POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5045505 0.77 KDM4E (0.40) KDM4ETDP1POLBMEN1KMT2A
SCHEMBL4700164 0.76 SCN8A (0.44)
Trifluoroacetic Acid SCHEMBL4698436 0.76 CRHR1 (0.44) LMNA
SCHEMBL4698855 0.76 CRHR1 (0.44) KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4697950 0.75 CRHR1 (0.44) KDM4EMEN1KMT2ALMNA
SCHEMBL4702341 0.75 CRHR1 (0.40) LMNATP53
SCHEMBL4757562 0.73 SMN1; SMN2 (0.39) KDM4EMEN1KMT2ASMN1; SMN2LMNA

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