Ethane

Ethane

SCHEMBL7561091

CC.NC(O)=S.OC(=S)NCC1CCCO1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX12 P18054 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL10341246 0.91 KMT2A (0.62) KMT2AHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL3130690 0.82 KMT2A (0.60) KMT2AHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL1962256 0.82 KMT2A (0.60) KMT2AHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL862990 0.79 KMT2A (0.60) KMT2AHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL30223355 0.75 SMN1; SMN2 (0.64) KMT2AHPGDSMN1; SMN2USP2KDM4E
SCHEMBL4812101 0.75 SMN1; SMN2 (0.64) KMT2AHPGDSMN1; SMN2USP2KDM4E
SCHEMBL30223215 0.75 SMN1; SMN2 (0.64) KMT2AHPGDSMN1; SMN2USP2KDM4E
SCHEMBL10310295 0.75 SMN1; SMN2 (0.54) KMT2AHPGDSMN1; SMN2USP2ALDH1A1
SCHEMBL13973608 0.75 KMT2A (0.64) KMT2AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6905952 0.75 KMT2A (0.55) KMT2AHPGDSMN1; SMN2USP2ALDH1A1

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
EP-0839059-B1 CARDIOTROPIC RADIOPHARMACEUTICALS COMPRISING A TRANSITION METAL NITRIDE COMPLEX AND HAVING RAPID MYOCARDIAL CLEARANCE CIS BIO INT (FR) 2002-04-17 EP claimed