SCHEMBL7077682

SCHEMBL7077682

Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 3/20 0.62
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
P2RX1 P51575 1/20 0.55
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
G6PD P11413 1/20 0.50
NPC1 O15118 1/20 0.50
GFER P55789 1/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7164702 0.93 CRHBP (0.64) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL7159826 0.86 MEN1 (0.60) PNLIPMEN1KMT2ACRHBPCRHR2
Ethane SCHEMBL27774960 0.81 KMT2A (0.66) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL5222691 0.81 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL1692055 0.81 P2RX1 (0.66) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL7078519 0.80 PNLIP (0.71) PNLIPMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7156328 0.80 P2RX1 (0.62) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL7161487 0.80 P2RX1 (0.62) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL7164292 0.80 P2RX1 (0.62) MEN1KMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL2060528 0.80 CRHBP (0.62) MEN1KMT2ACRHBPCRHR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848700-B1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-07-02 EP disclosed
US-6548549-B1 Fungicides, insecticides, bactericides; applying to plant BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-6001879-A SUITABLE FOR CONTROLLING PESTS, PREFERABLY FUNGI, INSECTS AND BACTERIA, IN PLANTS AND INDUSTRIAL MATERIALS; METHODS OF THEIR SYBNTHESIS INCLUDING REACTING AMINOSALICYLAMIDES WITH ACYLATING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN disclosed