SCHEMBL8525797

SCHEMBL8525797

NOC(=O)[C@@H](N)Cc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
PTPRA P18433 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
MPO P05164 1/20 0.48
HIF1A Q16665 1/20 0.48
SCN9A Q15858 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2C P28335 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL14066853 0.89 TACR1 (0.50) TACR1PTPRAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL27034726 0.88 TACR1 (0.49) TACR1PTPRAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL27148566 0.88 TACR1 (0.49) TACR1PTPRAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL6300383 0.86 SCN9A (0.54) TACR1PTPRAKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL6300382 0.86 SCN9A (0.54) TACR1PTPRAKMT2AMEN1KDM4E
SCHEMBL30381776 0.85 KMT2A (0.66) PTPRAKMT2AMEN1KDM4ELMNA
SCHEMBL274625 0.85 KMT2A (0.66) PTPRAKMT2AMEN1KDM4ELMNA
SCHEMBL8502601 0.85 KMT2A (0.66) PTPRAKMT2AMEN1KDM4ELMNA
SCHEMBL29855626 0.85 KMT2A (0.66) PTPRAKMT2AMEN1KDM4ELMNA
SCHEMBL274624 0.85 KMT2A (0.66) PTPRAKMT2AMEN1KDM4ELMNA

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-5889147-A OLIGOPEPTIDE, POLYPEPTIDE FROM VENOM OF A CONE SNAIL UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1999-03-30 US disclosed
WO-1998031705-A1 BROMO-TRYPTOPHAN CONOPEPTIDES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1998-07-23 WO disclosed