SCHEMBL29413030

SCHEMBL29413030

CN1C[C@H](N)C[C@H](c2ccc3c(c2)OCCO3)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.46
▸ KAT2A Q92830 1/20 0.46
▸ KAT2B Q92831 1/20 0.46
▸ HTT P42858 2/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACACB O00763 2/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL28435004 1.00 BPTF (0.46) BPTFKAT2AKAT2BHTTHDAC4
SCHEMBL31091773 0.72 BRD4 (0.50) BPTFKAT2AKAT2B
SCHEMBL13652039 0.72 DRD1 (0.46) KMT2AMEN1KDM4EMAPT
SCHEMBL14012482 0.72 BRD4 (0.47) BPTFKAT2AKAT2B
SCHEMBL29575028 0.70 L3MBTL1 (0.50) HTTHDAC4HPGDKMT2ARAB9A
Hydrochloric Acid SCHEMBL28436422 0.70 BRD4 (0.46) BPTFKAT2AKAT2B
Hydrochloric Acid SCHEMBL17912356 0.70 BRD4 (0.46) BPTFKAT2AKAT2B
SCHEMBL24870219 0.70 ACACB (0.45) HDAC4ACACBL3MBTL1
SCHEMBL27314354 0.70 KDM1A (0.50) KAT2BKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL27314351 0.70 KDM1A (0.50) KAT2BKMT2AL3MBTL1ALDH1A1GAA

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-111499639-B Pyrimidone derivatives and their use in pharmacy 四川大学华西医院 2022-03-04 — — CN disclosed
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