SCHEMBL9685509

SCHEMBL9685509

O=Cc1cc(Br)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.50
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
MAOA P21397 4/20 0.40
POLB P06746 3/20 0.40
S100A4 P26447 3/20 0.40
MAPK1 P28482 3/20 0.40
THRB P10828 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CES2 O00748 1/20 0.40
APAF1 O14727 1/20 0.40
TERT O14746 1/20 0.40
PLIN1 O60240 1/20 0.40

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
SCHEMBL9302518 0.79 CDC25B (0.47) PTPRCMEN1KMT2AMAPTS100A4
SCHEMBL9270325 0.78 PTPRC (0.57) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL16272402 0.77 ERN1 (0.45) PTPRCS100A4CES1ALDH1A1ERN1
SCHEMBL9683936 0.77 PTPRC (0.41) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL9683931 0.77 PTPRC (0.41) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL5158317 0.76 MAPT (0.48) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL9684783 0.76 MAPT (0.37) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL11077569 0.75 MCL1 (0.58) PTPRCMEN1KMT2AMAPTMAOA
SCHEMBL7462537 0.74 PTPRC (0.55) PTPRCMEN1KMT2AMAPTPOLB
SCHEMBL8954279 0.72 PTPRC (0.50) PTPRCMEN1KMT2AMAPTMAOA

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