SCHEMBL8730855

SCHEMBL8730855

C=CCNC(=O)c1c(Cl)cccc1NC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.69
ALDH1A1 P00352 6/20 0.69
CYP1A2 P05177 2/20 0.52
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8733069 0.89 HPGD (0.64) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8730834 0.87 HPGD (0.66) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8735213 0.84 HPGD (0.54) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7217473 0.83 ALDH1A1 (0.44) HPGDALDH1A1POLBL3MBTL1RAB9A
SCHEMBL8730894 0.81 HTT (0.44) HPGDALDH1A1POLBL3MBTL1LMNA
SCHEMBL8732709 0.81 HPGD (0.49) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8733084 0.77 HPGD (0.66) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8735202 0.77 HPGD (0.61) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8730842 0.76 HPGD (0.60) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7853654 0.76 HPGD (0.73) HPGDALDH1A1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP claimed
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP claimed
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US claimed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO claimed
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed