SCHEMBL9797192

SCHEMBL9797192

COc1ccc2cc(CCNC(=O)NO)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
SLC6A2 P23975 1/20 0.58
RAB9A P51151 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
FPR2 P25090 4/20 0.53
PTGS2 P35354 1/20 0.51
CNR1 P21554 1/20 0.50
MTNR1A P48039 1/20 0.50
ALOX5 P09917 1/20 0.50

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
SCHEMBL9126781 0.87 MTNR1A (0.64) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL3719877 0.85 SMN1; SMN2 (0.74) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9130202 0.85 MTNR1A (0.61) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9491759 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9493169 0.81 MTNR1A (0.60) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9492873 0.80 MTNR1A (0.62) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9490605 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9490706 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9496042 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9781759 0.79 CA12 (0.69) SMN1; SMN2MAPTCNR1

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-5068251-A Nonsteroidal antiinflammatory agents, hydroxyurea derivatives ABBOTT LABORATORIES (US) 1991-11-26 US disclosed