SCHEMBL12434381

SCHEMBL12434381

BCc1nc(-c2cccs2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 5/20 0.61
MCL1 Q07820 1/20 0.61
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
PKM P14618 2/20 0.57
ATM Q13315 1/20 0.55
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
HDAC8 Q9BY41 3/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL4439807 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL1486703 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL202064 0.83 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL8888284 0.83 MCL1 (0.65) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL4442344 0.81 MCL1 (0.66) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL14946436 0.79 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL4440742 0.78 MCL1 (0.63) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL4440934 0.77 HDAC1 (0.62) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL6325635 0.76 MCL1 (1.00) RAB9ANPC1SMN1; SMN2MAPTMCL1
SCHEMBL19287090 0.75 MCL1 (0.62) RAB9ANPC1SMN1; SMN2MAPTMCL1

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
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed