SCHEMBL9685886

SCHEMBL9685886

CSc1cc([Sn](C)(C)C)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.42
MAP2K7 O14733 1/20 0.42
CDC25A P30304 1/20 0.42
S100A4 P26447 3/20 0.38
SOAT1 P35610 1/20 0.37
MAPT P10636 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAOA P21397 4/20 0.36
MAPK1 P28482 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 3/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CES2 O00748 1/20 0.36
APAF1 O14727 1/20 0.36
TERT O14746 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9684783 0.75 MAPT (0.37) CDC25BS100A4MAPTMEN1KMT2A
SCHEMBL9423239 0.75 MAPT (0.38) S100A4MAPTMEN1KMT2AMAOA
SCHEMBL9684529 0.75 ALDH1A1 (0.40) CDC25BS100A4MAPTMEN1KMT2A
SCHEMBL9684787 0.75 SOAT1 (0.39) CDC25BS100A4SOAT1MAPTMEN1
SCHEMBL9683960 0.73 GRK6 (0.49) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL10582368 0.71 PTPRC (0.44) CDC25BMAP2K7CDC25AS100A4SOAT1
SCHEMBL9849269 0.71 ELANE (0.53) CDC25BS100A4MAPTMEN1KMT2A
SCHEMBL9685976 0.71 MAPT (0.45) MAPTMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL9685946 0.71 KEAP1 (0.51) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL9684465 0.71 MAPT (0.51) MAPTMEN1KMT2AKDM4ELMNA

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