SCHEMBL9685874

SCHEMBL9685874

CS(=O)(=O)c1ccc2c(c1)-c1cc([Sn](C)(C)C)ccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.38
PARG Q86W56 1/20 0.37
PTGS2 P35354 6/20 0.37
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
BRD4 O60885 1/20 0.35
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9685943 0.97 PKM (0.41) ENPP2PARGPTGS2PKMSMN1; SMN2
SCHEMBL17948135 0.77 PKM (0.53) ENPP2PARGPKMSMN1; SMN2BRD4
SCHEMBL29117512 0.77 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL29117498 0.76 ELANE (0.55) PARGSMN1; SMN2MEN1MAPTMAPK1
SCHEMBL7125518 0.76 PARG (0.59) PARGPTGS2PKMSMN1; SMN2MEN1
SCHEMBL9849269 0.74 ELANE (0.53) SMN1; SMN2MEN1MAPTMAPK1HTT
SCHEMBL10070529 0.73 PARG (0.44) ENPP2PARGPKMSMN1; SMN2BRD4
SCHEMBL11085074 0.72 ESR1 (0.62) ENPP2PARGPKMSMN1; SMN2MEN1
SCHEMBL9685890 0.72 MCL1 (0.37) PTGS2MAPT
SCHEMBL9685915 0.72 ALDH1A1 (0.37) PTGS2SMN1; SMN2

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-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed