SCHEMBL8700634

SCHEMBL8700634

N=C(N)NC(=O)c1cccc(-n2cccc2C(=O)OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.45
F2 P00734 2/20 0.45
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 4/20 0.40
SMPD1 P17405 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PLAU P00749 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
BACE1 P56817 1/20 0.38
AOC2 O75106 1/20 0.38

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
SCHEMBL7815462 0.83 PTGER1 (0.54) CYP2C9PTGER1KMT2ASLC6A2SLC6A3
SCHEMBL7829416 0.82 RAB9A (0.50) CYP2C9PTGER1KMT2ASLC6A2SLC6A3
SCHEMBL7824012 0.81 F10 (0.44) F10F2CYP2C9PTGER1KMT2A
SCHEMBL8700313 0.81 AOC2 (0.43) F10F2KMT2ATDP1PRSS1
Hydrochloric Acid SCHEMBL8699397 0.80 AOC2 (0.43) F10F2KMT2ATDP1PRSS1
SCHEMBL8699862 0.79 AOC2 (0.42) F10F2KMT2ATDP1PRSS1
Hydrochloric Acid SCHEMBL8701063 0.78 AOC2 (0.41) F10F2KMT2ATDP1PRSS1
SCHEMBL29008250 0.76 LMNA (0.45) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL17894403 0.75 SMPD1 (0.69) F10F2KMT2ARAB9ASMPD1
Hydrochloric Acid SCHEMBL8705820 0.74 AOC2 (0.42) F10F2KMT2ATDP1RAB9A

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed