SCHEMBL7160891

SCHEMBL7160891

COc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 1.00
CRHR2 Q13324 2/20 1.00
G6PD P11413 1/20 1.00
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALOX12 P18054 1/20 0.65
ALDH1A1 P00352 2/20 0.61
METAP2 P50579 1/20 0.58
KCNMA1 Q12791 5/20 0.56
HIF1A Q16665 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL7160224 0.88 CRHBP (0.78) CRHBPCRHR2G6PDKDM4ELMNA
SCHEMBL7156146 0.85 CRHBP (0.73) CRHBPCRHR2G6PDLMNAMEN1
SCHEMBL7162767 0.85 CRHBP (0.73) CRHBPCRHR2G6PDMEN1KMT2A
SCHEMBL7157806 0.83 CRHBP (0.71) CRHBPCRHR2G6PDLMNAMAPT
SCHEMBL7163306 0.82 CRHBP (0.70) CRHBPCRHR2G6PDKDM4ELMNA
SCHEMBL2060577 0.81 KCNMA1 (0.73) CRHBPCRHR2G6PDKDM4ELMNA
SCHEMBL27488497 0.80 CRHBP (0.67) CRHBPCRHR2G6PDLMNAMAPT
SCHEMBL2061207 0.80 CRHBP (0.67) CRHBPCRHR2G6PDKDM4ELMNA
SCHEMBL27487406 0.79 CRHBP (0.65) CRHBPCRHR2G6PDLMNAMAPT
SCHEMBL30057260 0.79 G6PD (0.65) CRHBPCRHR2G6PDKDM4ELMNA

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 7 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
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
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