SCHEMBL25493558

SCHEMBL25493558

Cc1c(Cl)cccc1/N=C1\CC(C)CN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ NISCH Q9Y2I1 1/20 0.37
▸ RNASEL Q05823 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTR2C P28335 4/20 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
Hydrochloric Acid SCHEMBL25197305 0.98 POLB (0.37) POLBNISCHRNASELMEN1KMT2A
SCHEMBL10832383 0.72 POLB (0.42) POLBRNASELMEN1KMT2ALMNA
SCHEMBL11786446 0.68 NPC1 (0.56) POLBRNASELMEN1KMT2ALMNA
SCHEMBL4130846 0.65 POLB (0.52) POLBMEN1KMT2ALMNAMAPT
SCHEMBL14256813 0.63 POLB (0.50) POLBMEN1KMT2ALMNAMAPT
SCHEMBL18434711 0.63 POLB (0.50) POLBMEN1KMT2ALMNAMAPT
SCHEMBL31356867 0.62 POLB (0.49) POLBMEN1KMT2ALMNAMAPT
SCHEMBL1535338 0.62 POLB (0.49) POLBMEN1KMT2ALMNAMAPT
SCHEMBL112040 0.60 — —
SCHEMBL13725034 0.60 POLB (0.61) POLBMEN1KMT2ALMNAMAPT

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-2023084054-A1 TREATMENT OF ADHD USING SELECTIVE BINDERS OF THE 11-IMIDAZOLINE RECEPTOR 3Z EHF (IS) 2023-05-19 — — WO disclosed
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