SCHEMBL18525262

SCHEMBL18525262

CCn1cc[n+](C)c1.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.39
LMNA P02545 6/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
THRB P10828 2/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
PON1 P27169 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 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
SCHEMBL15452878 0.84 KMT2A (0.35) RAPGEF4LMNAMAPTNPSR1PON1
SCHEMBL28900653 0.82 LMNA (0.38) RAPGEF4LMNAMAPTNPSR1THRB
SCHEMBL2935751 0.82 LMNA (0.41) LMNAMAPTNPSR1THRBTP53
Toluene SCHEMBL14859755 0.82 LMNA (0.41) RAPGEF4LMNAMAPTNPSR1THRB
SCHEMBL52073 0.79 HTT (0.42) RAPGEF4LMNAMAPTNPSR1SMN1; SMN2
Sulfuric Acid SCHEMBL2325415 0.79 SMN1; SMN2 (0.46) LMNAMAPTNPSR1THRBTP53
Sulfuric Acid SCHEMBL1828230 0.77 SMN1; SMN2 (0.44) LMNAMAPTNPSR1THRBTP53
SCHEMBL295578 0.77 SMN1; SMN2 (0.44) LMNAMAPTNPSR1THRBTP53
SCHEMBL411942 0.77 SMN1; SMN2 (0.44) LMNAMAPTNPSR1THRBTP53
Phenylmethanesulfonic Acid SCHEMBL3826460 0.77 LMNA (0.39) LMNAMAPTNPSR1THRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935388-B1 HYDROLYSIS-RESISTANT POLYURETHANE MOULDED ARTICLES MADE OF POLYESTER POLYURETHANE BASF SE (DE) 2017-02-22 EP disclosed