SCHEMBL6680353

SCHEMBL6680353

CC(NCc1ccccc1)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CASR P41180 1/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL79765 0.71 SMN1; SMN2 (0.76) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL774613 0.71 SMN1; SMN2 (0.76) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL11881252 0.71 SMN1; SMN2 (0.70) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL29560 0.71 SMN1; SMN2 (0.76) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL5875679 0.71 POLB (0.44) POLBSIGMAR1SMN1; SMN2CASRMEN1
Hydrochloric Acid SCHEMBL9635019 0.70 SMN1; SMN2 (0.79) POLBSIGMAR1SMN1; SMN2CASRMEN1
Hydrochloric Acid SCHEMBL27830673 0.70 SMN1; SMN2 (0.79) POLBSIGMAR1SMN1; SMN2CASRMEN1
Hydrochloric Acid SCHEMBL5493749 0.70 SMN1; SMN2 (0.79) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL27939948 0.70 SMN1; SMN2 (0.73) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL6418765 0.69 SIGMAR1 (0.61) POLBSIGMAR1SMN1; SMN2MEN1KMT2A

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-1474431-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2004-11-10 EP disclosed
WO-2003068790-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-08-21 WO disclosed