SCHEMBL8840294

SCHEMBL8840294

CC(C)Cc1nnc(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
PSMD14 O00487 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL20375249 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7020662 0.71 DAO (0.35) ALDH1A1HPGD
SCHEMBL8162699 0.70 F2 (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8840137 0.69 SMN1; SMN2 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11595879 0.69 GPR35 (0.33) ALDH1A1TDP1HPGD
SCHEMBL13171540 0.69 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12966649 0.69 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7371609 0.68 GLS (0.40) POLBALDH1A1
SCHEMBL9644927 0.68 RAB9A (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18364468 0.68 ALDH1A1 (0.38) ALDH1A1HPGD

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 3 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
CN-1134935-A Herbicidal (1,3,4) oxadiazoles and thiadiazoles AMERICAN CYANAMID CO (US) 1996-11-06 CN disclosed
EP-0726263-A2 Herbicidal (1,3,4)oxadiazoles and thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed