SCHEMBL9826709

SCHEMBL9826709

CC(N)c1cc2ccc(OC(F)F)cc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HTT P42858 1/20 0.37
CA2 P00918 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 4/20 0.36
NPC1 O15118 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KLK7 P49862 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 2/20 0.36

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
SCHEMBL9826401 0.87 TP53 (0.47) ALDH1A1HPGDKDM4EHTTCA2
SCHEMBL10460824 0.82 CA2 (0.54) ALDH1A1HPGDKDM4ECA2GAA
SCHEMBL26756473 0.79 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTCA2
SCHEMBL9826700 0.78 CA12 (0.43) ALDH1A1HPGDKDM4ECA2MAPT
SCHEMBL9826932 0.75 GAA (0.41) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL20559553 0.75 GAA (0.41) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL9826182 0.73 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL9826714 0.73 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTCA2
SCHEMBL1390573 0.73 MAOA (0.60) CA2NPC1ACHEMAOBSLC16A3
SCHEMBL9826479 0.72 HTR2A (0.39) GAANPC1MGAMSIPTPN1

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-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed