SCHEMBL9201294

SCHEMBL9201294

CCOc1nc(NC)nc(OC(F)(F)Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CFTR P13569 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9188004 0.88 PDE4A (0.35) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL9203247 0.86 MEN1 (0.44) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7804789 0.84 PDE4A (0.39) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL9844294 0.84 MEN1 (0.55) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7808688 0.81 POLB (0.34) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9199029 0.81 MAPK1 (0.41) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9196741 0.80 LMNA (0.44) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL7804038 0.77 CA12 (0.33) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL9190102 0.77 PDE4A (0.47) POLBMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9188618 0.76 LMNA (0.34) MEN1KMT2ACYP1A2CYP2C19PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469460-B1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF AG (DE) 1995-10-18 EP disclosed
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
US-5188657-A Herbicides consisting of sulfonyl-1,3,5-triazin-2-ylureas BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0469460-A1 Herbicidal sulphonylureas, method for their preparation and intermediates BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed