SCHEMBL9201385

SCHEMBL9201385

[NH]C(=O)COc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.58
KMT2A Q03164 5/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 7/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 4/20 0.46
PKM P14618 1/20 0.45
HTR7 P34969 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
STAT3 P40763 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
SCHEMBL3241147 0.82 PKM (0.64) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL28340763 0.81 GRM4 (0.58) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL9201393 0.81 KDM4E (0.61) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL29128176 0.81 GRM4 (0.58) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL29128330 0.79 GRM4 (0.57) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL10971331 0.78 GAA (0.56) LMNAHPGDSMN1; SMN2RAB9AMAPT
SCHEMBL5009269 0.78 GRM4 (0.55) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL7804236 0.78 GRM4 (0.64) GRM4KMT2ALMNAMEN1HPGD
SCHEMBL10968374 0.77 NOTUM (0.58) KMT2ALMNAMEN1SMN1; SMN2HTT
SCHEMBL11212899 0.77 HPGD (0.55) KMT2ALMNAMEN1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed