SCHEMBL9684551

SCHEMBL9684551

CO/N=C/c1ccc2c(c1)-c1cc([Sn](C)(C)C)ccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.43
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9684553 1.00 SRC (0.43) SRCMAPTLMNAALDH1A1MAPK1
SCHEMBL9684457 0.97 SRC (0.41) SRCMAPTLMNAALDH1A1MAPK1
SCHEMBL9684460 0.97 SRC (0.41) SRCMAPTLMNAALDH1A1MAPK1
SCHEMBL9685915 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TDP1
SCHEMBL9684483 0.76 ALDH1A1 (0.35) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL29117498 0.69 ELANE (0.55) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL24045960 0.69 MAPK1 (0.42) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL9685863 0.69 MAPT (0.36) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL9685859 0.69 MAPT (0.36) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL9684489 0.68 PTPRC (0.49) MAPTLMNAALDH1A1SMN1; SMN2TDP1

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