SCHEMBL8795227

SCHEMBL8795227

O=C(CBr)CCC[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.37
GSK3B P49841 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL11782071 0.91 ALDH1A1 (0.45) MEN1LMNABLMHBBKMT2A
SCHEMBL10496017 0.84 MEN1 (0.43) MEN1LMNABLMHBBKMT2A
SCHEMBL6073675 0.77 ALDH1A1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL9680510 0.76 ALDH1A1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL19283724 0.76 LMNA (0.54) MEN1LMNABLMHBBKMT2A
SCHEMBL6074622 0.76 ALDH1A1 (0.56) MEN1LMNABLMHBBKMT2A
SCHEMBL10777713 0.74 FAAH (0.54) MEN1LMNAKMT2AALDH1A1TDP1
SCHEMBL11286980 0.74 FAAH (0.48) MEN1LMNAKMT2AALDH1A1TDP1
SCHEMBL10343485 0.74 LMNA (0.58) MEN1LMNABLMHBBKMT2A
SCHEMBL1679439 0.73

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657456-B1 Process for preparing epibatidine EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1997-06-04 EP disclosed
EP-0736534-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-10-09 EP disclosed
US-5545741-A Process for the preparation of epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-08-13 US disclosed
EP-0657456-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1995-06-14 EP disclosed
EP-0657455-A1 Epi-epibatidine derivatives, a process and intermediates for preparing them and epi-epibatidine and medicaments containing the epi-epibatidine derivatives and/or epi-epibatidine and the use of them EGIS GYOGYSZERGYAR (HU) 1995-06-14 EP disclosed