SCHEMBL31585802

SCHEMBL31585802

O=C(O)c1cnc(NC(=O)c2ccccc2C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.52
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KCNK3 O14649 2/20 0.49
▸ KCNK9 Q9NPC2 2/20 0.49
▸ HCRTR1 O43613 1/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ SORT1 Q99523 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ASPH Q12797 1/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGFR P43088 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL20601792 1.00 PTGES (0.52) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL31585832 0.86 ABL1 (0.53) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL18083760 0.83 PTGES (0.53) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL5234574 0.82 HCAR3 (0.63) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL31585829 0.82 HCAR3 (0.63) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL25383706 0.80 PTGS1 (0.61) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL30354790 0.80 PTGS1 (0.61) PTGESLMNAGAAKCNK3KCNK9
SCHEMBL31362028 0.80 SMN1; SMN2 (0.53) LMNAGAAP4HTMTP53SMN1; SMN2
SCHEMBL20601692 0.80 SMN1; SMN2 (0.53) LMNAGAAP4HTMTP53SMN1; SMN2
SCHEMBL26405724 0.79 SORT1 (0.54) PTGESLMNAGAAKCNK3KCNK9

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
CN-120025312-A Benzazepine derivatives 大塚制药株式会社 2025-05-23 — — CN disclosed
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