SCHEMBL9683931

SCHEMBL9683931

CO/N=C/c1cc(Br)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.41
MAPT P10636 9/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 2/20 0.38
DUSP3 P51452 1/20 0.38
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
POLB P06746 4/20 0.35
CDC25A P30304 3/20 0.35
CDC25B P30305 3/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
MAP2K7 O14733 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL9683936 1.00 PTPRC (0.41) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL9685859 0.81 MAPT (0.36) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL9685863 0.81 MAPT (0.36) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL9685509 0.77 PTPRC (0.50) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL9270325 0.70 PTPRC (0.57) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL9684473 0.69 MAPT (0.54) PTPRCMAPTALDH1A1KMT2AKDM4E
SCHEMBL11077569 0.67 MCL1 (0.58) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL8954279 0.65 PTPRC (0.50) PTPRCMAPTALDH1A1KMT2AMEN1
SCHEMBL14266378 0.65 KMT2A (0.44) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5110610 0.65 KMT2A (0.44) MAPTALDH1A1KMT2AMEN1RAB9A

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