SCHEMBL16856545

SCHEMBL16856545

CNc1ccc(CNC(=O)CCCCCN)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.58
CYP3A4 P08684 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
EPHX2 P34913 1/20 0.52
LMNA P02545 1/20 0.50
STS P08842 1/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
PRSS1 P07477 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL19865073 0.83 TPSAB1 (0.63) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL5696317 0.82 HPGD (0.68) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL15678793 0.82 LMNA (0.76) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL14623873 0.81 MEN1 (0.83) TPSAB1CYP3A4MEN1KMT2AEPHX2
SCHEMBL11434850 0.81 MEN1 (0.83) TPSAB1CYP3A4MEN1KMT2AEPHX2
SCHEMBL1951979 0.81 KMT2A (0.61) TPSAB1CYP3A4MEN1KMT2ACA1
Hydrochloric Acid SCHEMBL5474583 0.81 HPGD (0.66) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL8499126 0.80 MEN1 (0.80) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL13716200 0.79 HDAC1 (0.60) TPSAB1CYP3A4MEN1KMT2ACA1
SCHEMBL13972900 0.79 HPGD (0.60) TPSAB1CYP3A4MEN1KMT2ACA1

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
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 WO disclosed