SCHEMBL9648909

SCHEMBL9648909

O=[N+]([O-])CC(O)c1ccnc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30
CPA1 P15085 3/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL1028353 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL31639294 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL9648801 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPT
SCHEMBL1159033 0.76 BLM (0.48) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL11947918 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL568664 0.75 LMNA (0.44) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL31032208 0.75 LMNA (0.44) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL24012849 0.74 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL28055460 0.74 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL2461328 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHPGDMEN1

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
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed