SCHEMBL774827

SCHEMBL774827

C=C(C)C(=O)OCC(O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 5/20 0.54
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.48
BCHE P06276 1/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 4/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.45
NR4A1 P22736 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MPO P05164 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL13336631 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL10094320 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL12721850 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL12927477 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL20671290 0.76 MTNR1A (0.46) HPGDKMT2APOLBMEN1TDP1
SCHEMBL13733103 0.76 APEX1 (0.58) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL12576912 0.76 AR (0.65) SMN1; SMN2HPGDRAB9AKMT2ABCHE
SCHEMBL10821280 0.75 SMN1; SMN2 (0.69) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL9693206 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HPGDRAB9AKMT2APOLB
SCHEMBL12956345 0.75 RAB9A (0.77) SMN1; SMN2HPGDRAB9AKMT2APOLB

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
US-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed