SCHEMBL7083803

SCHEMBL7083803

O=C(Cl)c1cc([N+](=O)[O-])ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
RAB9A P51151 1/20 0.56
MYC P01106 1/20 0.56
MAX P61244 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.51
PTGS2 P35354 2/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL6536287 0.90 ALDH1A1 (0.53) POLBRAB9AMYCMAXPTGS2
SCHEMBL6641665 0.87 MYC (0.66) POLBRAB9AMYCMAXPTGDR2
SCHEMBL6795849 0.81 ALDH1A1 (0.53) POLBRAB9AMYCMAXMAPT
SCHEMBL15229768 0.81 MYC (0.55) POLBRAB9AMYCMAXPTGDR2
SCHEMBL1984348 0.81 POLB (0.52) POLBRAB9AMYCMAXPTGDR2
SCHEMBL31590561 0.80 ALDH1A1 (0.55) RAB9AMAPTMEN1KMT2ATSHR
SCHEMBL6536346 0.79 MYC (0.56) POLBRAB9AMYCMAXMAPT
SCHEMBL8382506 0.78 POLB (0.64) POLBRAB9AMYCMAXPTGDR2
SCHEMBL10694655 0.78 ALDH1A1 (0.57) POLBMAPTMEN1KMT2ATSHR
SCHEMBL6391559 0.78 PTGS2 (0.69) POLBRAB9AMYCMAXPTGDR2

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
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed