SCHEMBL9685890

SCHEMBL9685890

CSc1ccc2c(c1)-c1cc([Sn](C)(C)C)ccc1C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.37
BCL2 P10415 4/20 0.37
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
TYMS P04818 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
ELANE P08246 1/20 0.32
PTGS2 P35354 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL9685898 0.97 BCL2 (0.39) MCL1BCL2MAP2K7CDC25ACDC25B
SCHEMBL29036115 0.77 MCL1 (0.46) MCL1BCL2MAP2K7CDC25ACDC25B
SCHEMBL29117498 0.76 ELANE (0.55) MCL1BCL2CDC25BKDM4EALDH1A1
SCHEMBL11294862 0.76 ELANE (0.55) MCL1BCL2MAP2K7CDC25ACDC25B
SCHEMBL9849269 0.74 ELANE (0.53) MCL1BCL2CDC25BKDM4EALDH1A1
SCHEMBL9811057 0.74 ELANE (0.53) MCL1BCL2MAP2K7CDC25ACDC25B
SCHEMBL27053415 0.73 MAOA (0.53) MCL1BCL2KDM4EALDH1A1GAA
SCHEMBL9685867 0.72 S100A4 (0.57) MCL1BCL2ESR1ESR2MAOA
SCHEMBL9685915 0.72 ALDH1A1 (0.37) KDM4EALDH1A1HPGDTSHRELANE
SCHEMBL9685874 0.72 ENPP2 (0.38) MAPTPTGS2

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