SCHEMBL5072232

SCHEMBL5072232

O=C(CBr)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
GBA1 P04062 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5069543 0.79 CYP19A1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28355465 0.78 LMNA (0.51) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL11638101 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6378337 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30216763 0.73 P2RX1 (0.69) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL28575104 0.73 P2RX1 (0.69) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL16197808 0.73 ALDH1A1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6069337 0.72 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1702972 0.71 MEN1 (0.78) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4166954 0.70 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319231-A4 PROGRAMMABLE MOLECULAR DEVICE UNIV WM MARSH RICE (US) 2008-11-19 EP disclosed
EP-1319231-A1 PROGRAMMABLE MOLECULAR DEVICE Wm. MARSH RICE UNIVERSITY (US) 2003-06-18 EP disclosed
US-20030058697-A1 Programmable molecular device NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2003-03-27 US disclosed
WO-2002009117-A1 PROGRAMMABLE MOLECULAR DEVICE WM. MARSH RICE UNIVERSITY (US) 2002-01-31 WO disclosed