SCHEMBL28678485

SCHEMBL28678485

CCn1c(C[O])nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ HTT P42858 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56

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
SCHEMBL9570450 0.86 PKM (0.68) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2900203 0.85 MEN1 (0.66) PKMMEN1KMT2ACYP1A2CYP2D6
Iodide SCHEMBL2900263 0.84 MEN1 (0.64) PKMMEN1KMT2ACYP1A2CYP2D6
Iodide SCHEMBL2892303 0.84 MEN1 (0.64) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL4155796 0.82 MEN1 (0.68) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11811576 0.82 PKM (0.62) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL4739771 0.82 MEN1 (0.71) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL8292031 0.82 CYP1A2 (0.64) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL31183018 0.82 MEN1 (0.68) PKMMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2017366 0.82 POLB (0.64) PKMMEN1KMT2ACYP1A2CYP2D6

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
CN-113754696-A Phosphaphenanthrene derivative, preparation and flame-retardant application 华中师范大学 2021-12-07 — — CN disclosed
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