SCHEMBL8987883

SCHEMBL8987883

C[n+]1ccncc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.50
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TLR9 Q9NR96 1/20 0.38
PABPC1 P11940 1/20 0.37

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
SCHEMBL10844389 0.87 PABPC1 (0.58) TERTKMT2ANPC1GAASMN1; SMN2
SCHEMBL1001154 0.85 TERT (0.55) TERTKMT2AGAASMN1; SMN2HTT
SCHEMBL10968004 0.83 TERT (0.46) TERTKMT2ANPC1SMN1; SMN2HTT
Paraquat SCHEMBL4086035 0.81 TERT (0.59) TERTKMT2AGAASMN1; SMN2HTT
SCHEMBL1982598 0.81 TERT (0.49) TERTKMT2AGAASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9308918 0.78 GAA (0.59) KMT2AGAASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL27504916 0.78 GAA (0.59) KMT2AGAASMN1; SMN2LMNAALDH1A1
Pyridine SCHEMBL31357297 0.78 GAA (0.45) KMT2ANPC1GAASMN1; SMN2HTT
Alcohol SCHEMBL27993658 0.77 TERT (0.49) TERTKMT2AGAASMN1; SMN2HTT
SCHEMBL31397607 0.76 TERT (0.48) TERTKMT2AGAASMN1; SMN2HTT

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-5541000-A Latent, thermal cure accelerators for epoxy-aromatic amine resins having lowered peak exotherms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-30 US disclosed
EP-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 EP disclosed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 WO disclosed