SCHEMBL8840148

SCHEMBL8840148

O=C(O)c1nnc(-c2ccc(F)cc2F)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DHFR P00374 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
CXCL12 P48061 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMO O15229 2/20 0.46
HDAC3 O15379 1/20 0.43

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
SCHEMBL19814620 0.98 TTR (0.46) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL30824456 0.86 ROCK2 (0.47) KDM4EALDH1A1KMOHDAC3HDAC4
SCHEMBL29541937 0.85 HDAC3 (0.41) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL30824454 0.85 ROCK2 (0.46) KDM4EALDH1A1KMOHDAC3HDAC4
Lithium Ion SCHEMBL29939266 0.85 HDAC3 (0.41) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL8840310 0.82 KDM4E (0.54) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL25234053 0.79 MAPT (0.46) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL8840334 0.77 CSNK2A2 (0.56) KDM4EMEN1LMNAKMT2AHDAC1
SCHEMBL27153036 0.75 KMO (0.49) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL22617533 0.75 KDM4E (0.58) KDM4EMEN1KMT2AKMOHSD17B1

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-5591695-A Herbicidal [1,3,4]oxadiazoles and thiadiazoles AMERICAN CYANAMID CO. (US) 1997-01-07 US disclosed
EP-0726263-A2 Herbicidal (1,3,4)oxadiazoles and thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed