SCHEMBL31134014

SCHEMBL31134014

O=[N+]([O-])c1ccc(OC2CC2)c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.56
▸ ALDH1A1 P00352 8/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ CTSB P07858 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ BRD4 O60885 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ CHRM3 P20309 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
SCHEMBL20608936 0.94 MAPT (0.54) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL21816823 0.82 MAPT (0.48) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL21816812 0.80 MAPT (0.61) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL10915347 0.80 MAPT (0.61) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL9976072 0.80 MEN1 (0.66) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL23698749 0.79 MAPT (0.46) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL21816877 0.79 MAPT (0.54) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL21816800 0.79 MAPT (0.60) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL21816865 0.78 MAPT (0.58) MAPTALDH1A1KMT2ACTSBKDM4E
SCHEMBL6974167 0.77 JMJD7 (0.63) MAPTALDH1A1KMT2ACTSBKDM4E

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-114401964-B Compound with BRD4 inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-10-01 — — CN disclosed
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