SCHEMBL29617906

SCHEMBL29617906

O=[N+]([O-])c1c(F)cccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 4/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ KDM1A O60341 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MGMT P16455 1/20 0.47
▸ PTGES O14684 1/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 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
SCHEMBL2892659 1.00 HPD (0.52) HPDNPC1MRGPRX4KDM1AMAPT
SCHEMBL15013285 0.89 MAPT (0.55) HPDNPC1MAPTMAPK1TDP1
SCHEMBL30449234 0.85 CYP19A1 (0.51) HPDNPC1TDP1CYP19A1KMT2A
SCHEMBL3873841 0.85 CYP19A1 (0.51) HPDNPC1TDP1CYP19A1KMT2A
SCHEMBL9528862 0.83 HTR1A (0.54) HPDNPC1MAPTMAPK1TDP1
SCHEMBL2434879 0.82 CYP19A1 (0.51) HPDKDM1AMAPTCYP19A1MEN1
SCHEMBL647866 0.82 TDP1 (0.56) HPDMAPTMAPK1TDP1L3MBTL1
SCHEMBL1121791 0.82 HPD (0.49) HPDMAPTMAPK1TDP1L3MBTL1
SCHEMBL29617955 0.82 MAPT (0.47) HPDNPC1MAPTMAPK1TDP1
SCHEMBL30318898 0.82 HPD (0.49) HPDMAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 — — EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 — — WO disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 — — WO disclosed
WO-2022092084-A1 FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2022-05-05 — — WO disclosed
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