SCHEMBL8773449

SCHEMBL8773449

NC(=O)c1c(F)cc(N(Cc2ccccc2)Cc2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 2/20 0.46
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR3C1 P04150 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT1 P31749 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 1/20 0.39
HCAR3 P49019 1/20 0.39
CA2 P00918 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2884029 0.87 CRHBP (0.53) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL31206998 0.83 CRHBP (0.49) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL13322100 0.78 CYP2C19 (0.47) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL28813822 0.78 CRHBP (0.53) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL2887865 0.77 CRHBP (0.49) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL28458480 0.76 PTPN1 (0.65) CRHBPCRHR2TDP1PTPN1CYP2C19
SCHEMBL14510437 0.76 TSHR (0.50) CRHBPCRHR2PTPN1CYP2C19NR1H2
SCHEMBL12346186 0.75 CYP2C19 (0.56) CRHBPCRHR2PTPN1CYP2C19NR1H2
SCHEMBL6009444 0.75 CRHBP (0.47) CRHBPCRHR2TDP1PTPN1NR3C1
SCHEMBL6009438 0.75 CRHBP (0.47) CRHBPCRHR2TDP1PTPN1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647217-B1 4-ACYLAMINOBENZAMIDES AND THEIR USE AS FUNGICIDES ZENECA LTD (GB) 1997-10-29 EP disclosed
EP-0647217-A1 4-ACYLAMINOBENZAMIDES AND THEIR USE AS FUNGICIDES. ZENECA LTD (GB) 1995-04-12 EP disclosed
WO-1994000422-A2 4-ACYLAMINOBENZAMIDES AND THEIR USE AS FUNGICIDES ZENECA LIMITED (GB) 1994-01-06 WO disclosed