SCHEMBL3039455

SCHEMBL3039455

CCCC[n+]1ccn(C)c1.O=C([O-])Cc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.43
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CHAT P28329 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
Phenylacetic Acid SCHEMBL3034419 0.83 ALDH1A1 (0.38) HTTSMN1; SMN2KMT2APABPC1ALDH1A1
Naphthalene SCHEMBL28400409 0.82 HTT (0.41) HTTSMN1; SMN2KMT2APABPC1ALDH1A1
SCHEMBL3039457 0.78 KMT2A (0.44) TDP1HTTSMN1; SMN2KMT2AALDH1A1
Naphthalene SCHEMBL28397022 0.78 HTT (0.49) HTTSMN1; SMN2KMT2AALDH1A1MAPT
Naphthalene SCHEMBL28395606 0.78 HTT (0.49) HTTSMN1; SMN2KMT2AALDH1A1MAPT
Naphthalene SCHEMBL28888415 0.78 HTT (0.49) HTTSMN1; SMN2KMT2AALDH1A1MAPT
Butyric Acid SCHEMBL507692 0.77 FFAR3 (0.42) SMN1; SMN2KMT2APABPC1MEN1
Propionic Acid SCHEMBL358643 0.77 MEN1 (0.39) SMN1; SMN2KMT2APABPC1MEN1
Bicarbonate SCHEMBL5032083 0.77 MEN1 (0.41) SMN1; SMN2KMT2APABPC1MEN1
Benzoic Acid SCHEMBL3848714 0.77 CA2 (0.41) HTTSMN1; SMN2PABPC1ALDH1A1MAPT

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-8591757-B2 Electrolyte composition and ionic liquid KANEKA CORPORATION (JP) 2013-11-26 — — US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 — — US disclosed
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