Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7097586

CC(C)(C)OC(=O)N1CC=C(c2ccc3ccnc(Cl)c3c2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3ccnc(N)c3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.48
▸ SOS1 Q07889 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ ATR Q13535 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ GRM1 Q13255 5/20 0.40
▸ GRM5 P41594 4/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK13 Q14004 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ LIPC P11150 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL1873263 0.95 TNK2 (0.51) TNK2SOS1BTKNAMPTCCNT1
SCHEMBL1868160 0.90 NAMPT (0.48) TNK2SOS1NAMPTCCNT1CDK9
Trifluoroacetic Acid SCHEMBL1878173 0.77 NAMPT (0.42) TNK2NAMPTCCNT1CDK9
SCHEMBL30074970 0.75 CNR1 (0.55) TNK2SOS1NAMPTCCNT1CDK9
SCHEMBL31336142 0.75 GRM5 (0.51) NAMPTCCNT1CDK9CNR1CYP11B2
SCHEMBL8512618 0.75 GRM5 (0.51) NAMPTCCNT1CDK9CNR1CYP11B2
SCHEMBL25457026 0.74 CNR1 (0.49) TNK2CCNT1CDK9CNR1GRM1
SCHEMBL30993158 0.74 CNR1 (0.51) TNK2SOS1NAMPTCCNT1CDK9
Trifluoroacetic Acid SCHEMBL1872651 0.74 RAD52 (0.37) TNK2NAMPTCCNT1CDK9JAK1
SCHEMBL25238113 0.73 NAMPT (0.53) TNK2BTKNAMPTCNR1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 — — EP disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 — — WO disclosed
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