SCHEMBL3897221

SCHEMBL3897221

O=C(O)N(CCBr)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
REN P00797 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MGLL Q99685 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL901839 0.87 REN (0.50) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL19716544 0.83 LMNA (0.55) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL825414 0.83 LMNA (0.63) LMNAMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL25233827 0.82 MEN1 (0.54) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL21628078 0.82 REN (0.56) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL7228409 0.82 MEN1 (0.61) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL766565 0.82 L3MBTL1 (0.58) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL673623 0.81 LMNA (0.61) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL638764 0.81 LMNA (0.61) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL149160 0.81 LMNA (0.61) LMNAMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1047695-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2000-11-02 EP disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
WO-1999031100-A1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 1999-06-24 WO disclosed