SCHEMBL1439619

SCHEMBL1439619

NC(=O)Nc1ccccc1N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.63
NPSR1 Q6W5P4 5/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
KCNQ2 O43526 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 3/20 0.63
PKM P14618 1/20 0.63
POLB P06746 1/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 2/20 0.61
MAPK10 P53779 1/20 0.61
MEN1 O00255 2/20 0.60
ATM Q13315 2/20 0.60
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
USP2 O75604 1/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PIM1 P11309 2/20 0.59
PIM3 Q86V86 2/20 0.59

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
SCHEMBL4318899 0.86 KCNQ2 (0.68) GAANPSR1L3MBTL1KCNQ2KMT2A
SCHEMBL1646808 0.85 CHEK1 (0.55)
SCHEMBL10144751 0.84 L3MBTL1 (0.66) GAANPSR1L3MBTL1KCNQ2KMT2A
SCHEMBL9424190 0.84 GAA (0.59) GAANPSR1L3MBTL1KCNQ2KMT2A
SCHEMBL865190 0.83 ALDH1A1 (0.62) GAANPSR1L3MBTL1KMT2AMAPT
SCHEMBL1643994 0.83 NPSR1 (0.68) GAANPSR1L3MBTL1KCNQ2KMT2A
Hydrochloric Acid SCHEMBL2023240 0.80 POLB (0.76) GAANPSR1KMT2AMAPTPOLB
SCHEMBL20862436 0.80 GAA (0.69) GAANPSR1L3MBTL1KCNQ2KMT2A
SCHEMBL13763656 0.80 NPSR1 (0.65) GAANPSR1L3MBTL1KCNQ2KMT2A
SCHEMBL29955086 0.80 KCNQ2 (0.74) GAANPSR1L3MBTL1KCNQ2KMT2A

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
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed