SCHEMBL9736945

SCHEMBL9736945

O=C1c2ccccc2C(=O)c2cc3cc(Br)c(Br)cc3cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CDC25B P30305 1/20 0.55
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
PTPRC P08575 4/20 0.52
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 2/20 0.48
ELANE P08246 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 4/20 0.46
POLB P06746 4/20 0.46
LMNA P02545 3/20 0.46
PLA2G1B P04054 3/20 0.46

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
SCHEMBL571761 0.88 MEN1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL24730390 0.84 PTPRC (0.59) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL652915 0.81 MEN1 (0.60) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL1304448 0.81 PTPRC (0.62) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL29867916 0.80 MEN1 (0.67) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL30327427 0.80 MEN1 (0.67) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL236156 0.80 MEN1 (0.67) MEN1KMT2ACDC25BBCL2MCL1
Hydrochloric Acid SCHEMBL10785532 0.78 MEN1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
Hydrochloric Acid SCHEMBL10789329 0.78 MEN1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL28260408 0.77 MEN1 (0.92) MEN1KMT2ACDC25BBCL2MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344110-B1 SUBSTITUTED NAPHTHACENES-5,12-DIONES AND THEIR USE CIBA-GEIGY AG (CH) 1992-09-16 EP disclosed
US-5001243-A Substituted naphthacene-5, 12-diones CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed