SCHEMBL7164292

SCHEMBL7164292

O=C(Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.62
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 3/20 0.53
HTT P42858 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
G6PD P11413 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KCNMA1 Q12791 1/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC12A2 P55011 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
SCHEMBL1692055 0.87 P2RX1 (0.66) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7159954 0.86 P2RX1 (0.62) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7161487 0.86 P2RX1 (0.62) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7160767 0.86 P2RX1 (0.65) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL2060528 0.86 CRHBP (0.62) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7164702 0.86 CRHBP (0.64) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7156328 0.86 P2RX1 (0.62) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL27489150 0.85 KLKB1 (0.63) P2RX1CRHBPCRHR2MEN1KMT2A
SCHEMBL7161441 0.85 P2RX1 (0.60) P2RX1CRHBPCRHR2MEN1KMT2A
Ethane SCHEMBL27774960 0.84 KMT2A (0.66) P2RX1CRHBPCRHR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548549-B1 Fungicides, insecticides, bactericides; applying to plant BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US claimed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN claimed
EP-0848700-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AG (DE) 1998-06-24 EP claimed
WO-1997008135-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO claimed
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
EP-0848700-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AG (DE) 1998-06-24 EP disclosed
WO-1997008135-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed