SCHEMBL11236778

SCHEMBL11236778

CCO/N=C(\C([NH])=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DRD4 P21917 1/20 0.39
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
PIN1 Q13526 1/20 0.37
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11236782 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1MAPK1HTT
SCHEMBL11243827 0.87 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1MAPK1HTT
SCHEMBL11243823 0.87 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1MAPK1HTT
SCHEMBL11541350 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1MAPK1HTT
SCHEMBL11541352 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAL3MBTL1MAPK1HTT
SCHEMBL11228210 0.84 ESR1 (0.45) LMNAL3MBTL1CES2CES1TSHR
SCHEMBL11228208 0.84 ESR1 (0.45) LMNAL3MBTL1CES2CES1TSHR
SCHEMBL11236194 0.83 CES2 (0.46) LMNAMAPK1ALDH1A1CES2CES1
SCHEMBL11236197 0.83 CES2 (0.46) LMNAMAPK1ALDH1A1CES2CES1
SCHEMBL8448451 0.83 GAA (0.55) SMN1; SMN2LMNAL3MBTL1MAPK1HTT

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
US-4342760-A ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-08-03 US disclosed
US-4264597-A FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD., NO. 3, 4-CHOME, DOSHOMACHI, HIGASHI-KU, OSAKA, JAPAN 1981-04-28 US disclosed