Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6599520

O=C(C1CCNCC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.62
CNR1 P21554 6/20 0.57
NPSR1 Q6W5P4 1/20 0.54
F2 P00734 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4942386 0.93 F10 (0.70) F10CNR1NPSR1F2USP2
Hydrochloric Acid SCHEMBL5735250 0.92 F10 (0.68) F10CNR1NPSR1F2USP2
Trifluoroacetic Acid SCHEMBL6199635 0.86 PKM (0.59) F10F2USP2
SCHEMBL6177993 0.82 LMNA (0.67) F10CNR1USP2LMNATSHR
SCHEMBL5735074 0.81 F10 (0.68) F10CNR1NPSR1USP2LMNA
SCHEMBL5736345 0.81 F10 (0.68) F10CNR1NPSR1USP2LMNA
Hydrochloric Acid SCHEMBL5733905 0.81 F10 (0.67) F10CNR1NPSR1USP2LMNA
Hydrochloric Acid SCHEMBL5733907 0.81 F10 (0.67) F10CNR1NPSR1USP2LMNA
Hydrochloric Acid SCHEMBL5734077 0.81 F10 (0.67) F10CNR1NPSR1USP2LMNA
Hydrochloric Acid SCHEMBL5735795 0.80 F10 (0.66) F10CNR1NPSR1USP2LMNA

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-1140839-B1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA LILLY CO ELI (US) 2004-03-17 EP disclosed
US-6660739-B1 Heterocyclic amides as inhibitors of factor Xa ELI LILLY AND COMPANY 2003-12-09 US disclosed
EP-1140839-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039092-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed