SCHEMBL31663902

SCHEMBL31663902

COc1cc(F)ccc1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
CYP11B1 P15538 4/20 0.60
CYP11B2 P19099 4/20 0.60
CYP17A1 P05093 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP19A1 P11511 1/20 0.54
KCNH2 Q12809 6/20 0.53
GRM5 P41594 1/20 0.53
PDE10A Q9Y233 1/20 0.51
GRIN2B Q13224 2/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
TDO2 P48775 1/20 0.50
POLB P06746 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49

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
SCHEMBL14680957 0.83 MKNK1 (0.63) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL8137336 0.82 POLB (0.64) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL2659108 0.81 MKNK1 (0.62) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL21076869 0.81 MKNK1 (0.66) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL23326178 0.81 CYP11B1 (0.62) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL29775352 0.81 CYP11B1 (0.62) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL28225240 0.80 MKNK1 (0.60) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL11425087 0.80 CYP11B1 (0.55) CYP11B1CYP11B2KCNH2GRM5GRIN2B
SCHEMBL14694620 0.80 CYP17A1 (0.67) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL6609680 0.80 KCNH2 (0.53) CYP11B1CYP11B2CYP3A4KCNH2GRM5

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-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed