SCHEMBL28098359

SCHEMBL28098359

O=C(C(c1ccccc1)C(F)(F)F)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
HMOX2 P30519 1/20 0.43
CYP19A1 P11511 5/20 0.41
CYP24A1 Q07973 1/20 0.40
TBXAS1 P24557 2/20 0.39
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
USP2 O75604 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
TP53 P04637 1/20 0.37
CYP17A1 P05093 1/20 0.37
PGR P06401 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL15099355 0.80 FAAH (0.54) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL1260765 0.78 FAAH (0.52) FAAHMGLLHMOX2CYP19A1CYP24A1
SCHEMBL13086637 0.73 FAAH (0.48) FAAHMGLLHMOX2CYP19A1CYP24A1
SCHEMBL2481523 0.73 FAAH (0.48) FAAHMGLLHMOX2CYP19A1CYP24A1
SCHEMBL7239641 0.70 FAAH (0.50) FAAHMGLLHMOX2CYP19A1TBXAS1
SCHEMBL28044484 0.69 CYP2D6 (0.44) MAPTMAPK1TDP1
SCHEMBL195532 0.69 SRC (0.50) MAPK1TDP1
SCHEMBL4026079 0.69 SRC (0.50) MAPK1TDP1
SCHEMBL7955519 0.69 SRC (0.50) MAPK1TDP1
SCHEMBL2454545 0.69 CYP11B1 (0.46) FAAHMGLLHMOX2CYP19A1CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061970-B Herbicidal compounds 先正达参股股份有限公司 2019-09-06 CN disclosed
CN-106061970-A Herbicidal compounds 先正达参股股份有限公司 2016-10-26 CN disclosed