SCHEMBL12809489

SCHEMBL12809489

Cc1cc2c(ncn2C)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.39
CYP3A4 P08684 2/20 0.38
PMP22 Q01453 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XDH P47989 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL20224934 0.81 GDA (0.38) GDACYP3A4PMP22MAPK1LMNA
SCHEMBL20224938 0.81 GDA (0.38) GDACYP3A4PMP22MAPK1LMNA
SCHEMBL18519852 0.81 PNP (0.45) GDACYP3A4PMP22MAPK1LMNA
SCHEMBL18510389 0.78 SMN1; SMN2 (0.49) CYP3A4RAB9AALDH1A1TSHRMEN1
SCHEMBL25080185 0.71 KDM4E (0.40) MAPK1LMNAALDH1A1MAPTMEN1
SCHEMBL8043797 0.69 GDA (0.36) GDACYP3A4PMP22MAPK1LMNA
SCHEMBL8259942 0.69 RAB9A (0.42) GDACYP3A4PMP22MAPK1RAB9A
SCHEMBL9910656 0.68 XDH (0.42) GDACYP3A4PMP22MAPK1RAB9A
SCHEMBL4560085 0.67 GDA (0.53) GDACYP3A4PMP22MAPK1LMNA
SCHEMBL10998 0.67 GDA (0.53) GDACYP3A4PMP22MAPK1LMNA

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-1907592-B1 MONOMERIC AND POLYMERIC LINKERS USEFUL FOR CONJUGATING BIOLOGICAL MOLECULES AND OTHER SUBSTANCES DAKO DENMARK AS (DK) 2011-03-09 EP disclosed