SCHEMBL9438445

SCHEMBL9438445

CC[n+]1c2ccccc2nc2ccccc21.COS(=O)(=O)[O-]

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
RAB9A P51151 4/20 0.49
POLB P06746 4/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
BLM P54132 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
NLRP3 Q96P20 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 6/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.46
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29383363 0.88 MEN1 (0.47) RAB9APOLBMEN1NPC1BLM
SCHEMBL6674482 0.88 MEN1 (0.47) RAB9APOLBMEN1NPC1BLM
SCHEMBL9721188 0.86 POLB (0.43) RAB9APOLBMEN1NPC1BLM
Trifluoromethanesulfonic Acid SCHEMBL15268656 0.83 MEN1 (0.51) RAB9APOLBMEN1NPC1BLM
SCHEMBL29361182 0.83 MEN1 (0.63) RAB9APOLBMEN1NPC1BLM
SCHEMBL9096221 0.83 MEN1 (0.63) RAB9APOLBMEN1NPC1BLM
SCHEMBL94397 0.82 POLB (0.52) RAB9APOLBMEN1NPC1BLM
Hydrochloric Acid SCHEMBL6769348 0.81 MEN1 (0.61) RAB9APOLBMEN1NPC1BLM
SCHEMBL10483630 0.81 CRHBP (0.45) RAB9APOLBMEN1NPC1BLM
Sulfuric Acid SCHEMBL10339575 0.80 NQO2 (0.48) RAB9APOLBMEN1NPC1BLM

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-5294540-A Quantitative assay in aqueous fluids; using tetrazolium salt, NAD+, alcohol dehydrogenase, a phenolthiazine methosulfate and poly(methyl acrylate-co-2-sulfo-1,1-dimethylethyl acrylamide-co-2-acetoacetoxyethyl methacrylate EASTMAN KODAK COMPANY (US) 1994-03-15 US disclosed
EP-0464942-A1 Ethanol analytical element EASTMAN KODAK COMPANY (US) 1992-01-08 EP disclosed