SCHEMBL30100779

SCHEMBL30100779

Brc1nccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
CYP2A6 P11509 2/20 0.56
F12 P00748 1/20 0.56
NCF1 P14598 1/20 0.56
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
BACE1 P56817 1/20 0.56
PLG P00747 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
CYP3A4 P08684 3/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL248635 1.00 PLAU (0.56) PLAUCYP2A6F12NCF1NOS3
Ammonia Solution, Strong SCHEMBL28213835 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
Iodide SCHEMBL26934065 0.98 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL27445665 0.94 CYP2A6 (0.55) PLAUCYP2A6F12NCF1NOS3
Bicarbonate SCHEMBL28387859 0.88 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL28216191 0.87 PLAU (0.44) PLAUCYP2A6F12NCF1NOS3
Tetrahydrofuran SCHEMBL28212806 0.85 PLAU (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL21767613 0.83 CYP3A4 (0.61) PLAUCYP2A6F12NCF1NOS3
Isobutane SCHEMBL28383369 0.82 RAB9A (0.47) PLAUCYP2A6F12NCF1NOS3
Bicarbonate SCHEMBL29239049 0.81 CYP2A6 (0.43) PLAUCYP2A6F12NCF1NOS3

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-4728018-A1 PHOSPHORESCENT COMPLEX COMPRISING IRIDIUM OR PLATINUM, PRODUCTION METHOD THEREOF, ITS USE IN THE PREPARATION OF OPTOELECTRONIC DEVICES Consiglio Nazionale Delle Ricerche - CNR (IT) 2026-04-22 EP disclosed
WO-2025007113-A2 MITOCHONDRIAL COMPLEX I INHIBITORS WITH REDUCED PHOSPHODIESTERASE INHIBITION OHIO STATE INNOVATION FOUNDATION (US) 2025-01-02 WO disclosed
WO-2024256935-A1 PHOSPHORESCENT COMPLEX COMPRISING IRIDIUM OR PLATINUM, PRODUCTION METHOD THEREOF, ITS USE IN THE PREPARATION OF OPTOELECTRONIC DEVICES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2024-12-19 WO disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed