SCHEMBL19834883

SCHEMBL19834883

NC(O)(CS(=O)(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
HSD11B1 P28845 7/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 3/20 0.40
MMP2 P08253 3/20 0.40
MMP13 P45452 3/20 0.40
NR1H3 Q13133 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 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
SCHEMBL775887 0.77 PSIP1 (0.50) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL778104 0.77 PSIP1 (0.54) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL5210088 0.74 HSD11B1 (0.49) PSIP1HSD11B1ALDH1A1MMP1MMP2
SCHEMBL19248406 0.73 PSIP1 (0.56) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL1540327 0.73 PSIP1 (0.56) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL7348328 0.73 HSD11B1 (0.56) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL1527680 0.73 HSD11B1 (0.56) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL19239760 0.70 PSIP1 (0.52) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9
SCHEMBL7967868 0.70 PSIP1 (0.56) PSIP1HSD11B1ALDH1A1MMP2MMP13
SCHEMBL9499219 0.69 CYP2C19 (0.58) PSIP1HSD11B1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed