SCHEMBL12336002

SCHEMBL12336002

O=C(NNC1=CCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 5/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL10427470 0.83 NPC1 (0.47) HPGDSMN1; SMN2GAARAB9ANPC1
SCHEMBL12336612 0.82 GAA (0.55) SMN1; SMN2LMNAGAAALDH1A1MEN1
SCHEMBL2993849 0.80 ALDH1A1 (0.53) PTGS2HPGDSMN1; SMN2LMNAGAA
SCHEMBL2989634 0.78 ALDH1A1 (0.51) PTGS2HPGDSMN1; SMN2LMNAGAA
SCHEMBL2989640 0.78 ALDH1A1 (0.51) PTGS2HPGDSMN1; SMN2LMNAGAA
SCHEMBL2989637 0.78 ALDH1A1 (0.51) PTGS2HPGDSMN1; SMN2LMNAGAA
SCHEMBL5139150 0.78 NPC1 (0.46) HPGDSMN1; SMN2GAARAB9ANPC1
SCHEMBL400890 0.71 RAB9A (0.77) PTGS2SMN1; SMN2GAARAB9ANPC1
SCHEMBL425101 0.70 PTGS2 (1.00) PTGS2HPGDSMN1; SMN2GAARAB9A
SCHEMBL8533642 0.69 ALDH1A1 (0.50) HPGDSMN1; SMN2LMNAGAARAB9A

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-2011119869-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEGENERATIVE DISEASES MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2011-09-29 WO disclosed