SCHEMBL22412428

SCHEMBL22412428

Cc1cccc(C)c1NC(=O)COC(=O)C1CCCN(C(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL22412620 0.84 L3MBTL1 (0.56) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL22412576 0.82 MAPT (0.59) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL7704030 0.82 ATM (0.54) MEN1KMT2APOLBATMMAPT
SCHEMBL22412644 0.78 MEN1 (0.53) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL22407708 0.76 KDM4E (0.70) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL22407651 0.76 KDM4E (0.61) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL22412508 0.76 POLB (0.50) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL12259083 0.75 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL12258816 0.75 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL1911484 0.75 ALDH1A1 (0.56) POLBALDH1A1SMN1; SMN2TDP1HTT

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
EP-3938345-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2022-01-19 EP disclosed
WO-2020185830-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. (US) 2020-09-17 WO disclosed