SCHEMBL31324243

SCHEMBL31324243

CC/C(=C\C(=O)O)c1cn[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ACACB O00763 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NOS2 P35228 1/20 0.34
PDPK1 O15530 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MME P08473 1/20 0.32
KCNH2 Q12809 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31

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
SCHEMBL31324249 0.77 NR4A2 (0.42) ESR1ACACBALDH1A1HTTNOS2
SCHEMBL8402539 0.74
SCHEMBL7486774 0.74 ESR1 (0.44) ESR1ALDH1A1PDPK1
SCHEMBL563577 0.74 HCAR2 (0.47) ACACBALDH1A1HTTPDPK1MEN1
SCHEMBL1914008 0.71 PDPK1 (0.36) ALDH1A1PDPK1
SCHEMBL2303273 0.71 PDPK1 (0.51) ESR1PDPK1MEN1KMT2A
SCHEMBL6515252 0.71 PDPK1 (0.51) ESR1PDPK1MEN1KMT2A
SCHEMBL2303277 0.71 PDPK1 (0.51) ESR1PDPK1MEN1KMT2A
SCHEMBL29864 0.69
SCHEMBL930016 0.69 ALDH1A1 (0.43) ALDH1A1HTTNOS2KCNH2

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
EP-4734985-A1 PREVENTION, INHIBITION OR TREATMENT OF CONDITIONS OR DISORDERS MEDIATED BY UROCANATE REDUCTASE IMPLEXION PHARMA AB (SE) 2026-05-06 EP disclosed
WO-2025003469-A1 PREVENTION, INHIBITION OR TREATMENT OF CONDITIONS OR DISORDERS MEDIATED BY UROCANATE REDUCTASE IMPLEXION PHARMA AB (SE) 2025-01-02 WO disclosed