Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8549018

CCS(=O)(=O)Nc1ccc2sc(C)c(CCNCc3ccc4sc(N)nc4c3)c2c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.32
MCHR1 Q99705 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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 SCHEMBL7137485 0.88 POLB (0.38)
SCHEMBL8931318 0.81 ALDH1A1 (0.38) MAPTSMN1; SMN2USP2ALDH1A1LMNA
Trifluoromethanesulfonic Acid SCHEMBL8545942 0.76 MGLL (0.36) MAPTUSP2MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8551955 0.67 KDM4E (0.37) MAPTALDH1A1HTT
SCHEMBL240595 0.59 SMN1; SMN2 (0.75) MAPTSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL31484185 0.59 SMN1; SMN2 (0.75) MAPTSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL12031204 0.57 SMN1; SMN2 (0.43) MAPTSMN1; SMN2USP2ALDH1A1LMNA
SCHEMBL18364999 0.57 HSD17B10 (0.65) MAPTSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL27459830 0.57 ALDH1A1 (0.64) MAPTSMN1; SMN2USP2ALDH1A1LMNA
SCHEMBL84403 0.56 NPC1 (0.67) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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 3 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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed