SCHEMBL7164702

SCHEMBL7164702

Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
P2RX1 P51575 1/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 5/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.56
DHODH Q02127 1/20 0.54

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
SCHEMBL7077682 0.93 PNLIP (0.62) CRHBPCRHR2P2RX1KMT2AMEN1
Ethane SCHEMBL27774960 0.87 KMT2A (0.66) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL5222691 0.87 ALDH1A1 (0.70) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL1692055 0.87 P2RX1 (0.66) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL7156328 0.86 P2RX1 (0.62) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL7161487 0.86 P2RX1 (0.62) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL7160767 0.86 P2RX1 (0.65) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL7164292 0.86 P2RX1 (0.62) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL2060528 0.86 CRHBP (0.62) CRHBPCRHR2P2RX1KMT2AMEN1
SCHEMBL1549304 0.85 P2RX1 (0.65) CRHBPCRHR2P2RX1KMT2AMEN1

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