SCHEMBL8242582

SCHEMBL8242582

BOC(=O)CNCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
PYCR1 P32322 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL1999414 0.84 PYCR1 (0.49) TGM2PYCR1L3MBTL1KMT2AMEN1
SCHEMBL15692215 0.80 KMT2A (0.61) PYCR1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL14238298 0.79 PYCR1 (0.44) TGM2PYCR1KMT2AMEN1ALDH1A1
SCHEMBL841278 0.78 L3MBTL1 (0.50) TGM2PYCR1L3MBTL1KMT2AMEN1
SCHEMBL840310 0.77 MEN1 (0.50) TGM2PYCR1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL20658835 0.77 L3MBTL1 (0.49) TGM2PYCR1L3MBTL1KMT2AMEN1
SCHEMBL3856253 0.76 SMN1; SMN2 (0.59) L3MBTL1KMT2AMEN1ALDH1A1HPGD
SCHEMBL31248387 0.75 L3MBTL1 (0.60) TGM2PYCR1L3MBTL1KMT2AMEN1
SCHEMBL9295394 0.72 SPHK2 (0.47) TGM2PYCR1L3MBTL1KMT2AMEN1
SCHEMBL8151807 0.72 PYCR1 (0.64) TGM2PYCR1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed