SCHEMBL25619948

SCHEMBL25619948

C=NC(=CC(C)[C@@H](C)/C(C)=C/C=C\C)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 4/20 0.35
▸ RAB9A P51151 7/20 0.32
▸ NPC1 O15118 6/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ PKM P14618 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PTBP1 P26599 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ LMNA P02545 5/20 0.31
▸ AGTR1 P30556 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL20903539 0.82 KDM4E (0.42) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL21953560 0.74 KDM4E (0.48) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL21515519 0.72 KDM4E (0.47) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL12067918 0.71 KDM4E (0.42) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL20824986 0.70 ALDH1A1 (0.50) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL21279978 0.70 ALDH1A1 (0.50) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL20362919 0.69 KDM4E (0.37) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL23008684 0.66 ALDH1A1 (0.42) KDM4EALDH1A1HTTRAB9ANPC1
SCHEMBL19085493 0.65 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20168980 0.64 KDM4E (0.45) KDM4EALDH1A1HTTRAB9ANPC1

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
EP-4198103-A1 ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2023-06-21 — — EP disclosed
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