SCHEMBL7601049

SCHEMBL7601049

F[B]F.c1ccc2oc(Cc3nc4ccccc4s3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.58
MAPT P10636 7/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 3/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
UBE2T Q9NPD8 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7590542 0.94 SMN1; SMN2 (0.63) SMN1; SMN2MAPTTSHRLMNATP53
Fluoride SCHEMBL7601046 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL7600826 0.82 UBE2T (0.61) SMN1; SMN2MAPTTSHRLMNANPC1
SCHEMBL7598313 0.82 TP53 (0.70) SMN1; SMN2MAPTLMNATP53NPC1
SCHEMBL11328744 0.80 MAPT (0.48) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL12597396 0.79 LIPG (0.59) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL3465479 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTSHRLMNATP53
SCHEMBL226465 0.75 UBE2T (0.70) SMN1; SMN2MAPTTSHRLMNANPC1
SCHEMBL1420033 0.75 TP53 (0.81) SMN1; SMN2MAPTLMNATP53NPC1
Bromide SCHEMBL7601035 0.73 UBE2T (0.68) SMN1; SMN2MAPTTSHRLMNANPC1

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-0747448-B1 Rigidized monomethine cyanine dyes UNIV CARNEGIE MELLON (US) 2002-11-06 EP disclosed
EP-0747448-A2 Rigidized monomethine cyanine dyes CARNEGIE-MELLON UNIVERSITY (US) 1996-12-11 EP disclosed