Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8551955

Cc1sc2ccc(NC(=S)N3CCN(c4ccc(Cl)cc4Cl)CC3)cc2c1CCN(C)Cc1ccc2sc(N)nc2c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
PHGDH O43175 4/20 0.36
GAA P10253 2/20 0.36
RAD52 P43351 2/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
MAPK1 P28482 1/20 0.34

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
Trifluoromethanesulfonic Acid SCHEMBL7144777 0.91 MAPT (0.36) KDM4EMAPTALDH1A1HTTPHGDH
SCHEMBL8552648 0.86 KDM4E (0.38) KDM4EMAPTALDH1A1HTTPHGDH
Trifluoromethanesulfonic Acid SCHEMBL8545942 0.78 MGLL (0.36) MAPT
Trifluoromethanesulfonic Acid SCHEMBL8194433 0.69 HSP90AA1 (0.40) MAPT
Trifluoromethanesulfonic Acid SCHEMBL8551417 0.69 GPR183 (0.35) KDM4EMAPTALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL8189875 0.69 HTR1F (0.56) KDM4EMAPTALDH1A1HTTGAA
SCHEMBL8552127 0.68 KDM4E (0.39) KDM4EMAPTALDH1A1GAARAD52
Trifluoromethanesulfonic Acid SCHEMBL8549018 0.67 MAPT (0.34) MAPTALDH1A1HTT
SCHEMBL8547927 0.67 ROCK1 (0.37) KDM4EMAPTALDH1A1PHGDHGAA
SCHEMBL8547854 0.66 SMN1; SMN2 (0.45) KDM4EMAPTALDH1A1HTTPHGDH

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed