SCHEMBL8935458

SCHEMBL8935458

NCCC(=O)NCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
TRPV1 Q8NER1 4/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.63
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TPSAB1 Q15661 2/20 0.61
ERCC1 P07992 1/20 0.59
ERCC4 Q92889 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58

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
SCHEMBL7353744 0.93 GAA (0.75) GAATRPV1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1128739 0.91 GAA (0.72) GAATRPV1MEN1KMT2AALDH1A1
SCHEMBL1661081 0.85 TRPV1 (0.76) GAATRPV1MEN1KMT2ALMNA
SCHEMBL8935389 0.84 LMNA (0.67) GAATRPV1LMNAALDH1A1HDAC3
SCHEMBL4436696 0.84 GAA (0.79) GAATRPV1MEN1KMT2ALMNA
SCHEMBL8499126 0.83 MEN1 (0.80) GAATRPV1MEN1KMT2ALMNA
SCHEMBL3825861 0.82 HDAC3 (0.68) TRPV1LMNAALDH1A1L3MBTL1HDAC3
SCHEMBL3435489 0.82 TRPV1 (0.84) GAATRPV1MEN1KMT2ALMNA
SCHEMBL18376355 0.82 TSHR (0.59) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL8792470 0.81 ALDH1A1 (0.71) GAATRPV1MEN1KMT2ALMNA

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed