SCHEMBL13798271

SCHEMBL13798271

Bc1cnc(N2CCCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL21589944 0.98 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL12634021 0.93 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL12812532 0.80 LMNA (0.53) TSHRALDH1A1SMN1; SMN2POLBUSP2
SCHEMBL22627043 0.78 POLB (0.58) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL1984161 0.77 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL12874013 0.77 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2POLBUSP2
SCHEMBL3611548 0.77 TSHR (0.49) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL10085632 0.77 SMN1; SMN2 (0.50) TSHRALDH1A1SMN1; SMN2POLBUSP2
SCHEMBL364306 0.77 POLB (0.46) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL365996 0.77 TSHR (0.49) TSHRALDH1A1SMN1; SMN2POLBMAPK1

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-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 WO disclosed