SCHEMBL9068673

SCHEMBL9068673

O=C(Cl)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.60
SRD5A2 P31213 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
HSPB1 P04792 1/20 0.53
FFAR1 O14842 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
CES1 P23141 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL7785604 0.88 ALDH1A1 (0.79) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL11601386 0.86 KDM4E (0.76) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL264541 0.85 MEN1 (1.00) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL311582 0.84 KMT2A (0.73) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL5695804 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL28248818 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL11689190 0.78 HSPB1 (0.79) MEN1KMT2AALDH1A1KDM4ESRD5A2
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.78 HSPB1 (0.79) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL9183872 0.78 HSPB1 (0.79) MEN1KMT2AALDH1A1KDM4ESRD5A2
SCHEMBL2011179 0.78 HSPB1 (0.79) MEN1KMT2AALDH1A1KDM4ESRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491200-A FORMING GRAFT OR BLOCK COPOLYMER FROM POLYIMIDE ENDCAPPED WITH ACYL-ACTIVATED CAPROLACTAM RING AND MOLTEN CAPROLACTAM; FIBER BLENDS WITH NYLON-6; HEAT, CHEMICAL RESISTANT EDISON POLYMER INNOVATION CORPORATION (US) 1996-02-13 US disclosed