Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5501485

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCN1CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNJ1 P48048 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
CHEK1 O14757 1/20 0.44
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL7526518 0.94 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5567501 0.94 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5501488 0.87 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL361837 0.86 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3284414 0.85 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5499989 0.85 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28341714 0.85 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6532154 0.85 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7838137 0.85 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2920128 0.84 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed