SCHEMBL24869050

SCHEMBL24869050

CC(C)c1ccc(F)cc1NO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TRPA1 O75762 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ P2RY1 P47900 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL24869039 0.82 RECQL (0.44) RECQLLMNATRPA1CHRM1SLC6A2
SCHEMBL24869058 0.78 RECQL (0.52) RECQL
SCHEMBL14577239 0.77 RECQL (0.44) RECQL
SCHEMBL24869068 0.77 RECQL (0.55) RECQLHTTP2RY1
SCHEMBL24869045 0.77 RECQL (0.41) RECQLLMNAGABRA1GABRG2GABRB3
SCHEMBL2737221 0.74 L3MBTL1 (0.59) RECQL
SCHEMBL24869066 0.74 RECQL (0.39) RECQLADRA1A
SCHEMBL15166554 0.74 IDO1 (0.49) RECQLLMNA
SCHEMBL12197672 0.73 CYP1A2 (0.39) RECQLLMNATRPA1CHRM1SLC6A2
SCHEMBL24869044 0.73 RECQL (0.38) RECQL

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
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 — — WO disclosed
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