SCHEMBL29589838

SCHEMBL29589838

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)Oc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.56
▸ BCL2 P10415 13/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ PDE4B Q07343 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29589794 0.90 BCL2 (0.57) BCL2ACHE
SCHEMBL29589933 0.88 BCL2 (0.54) BCL2ACHE
SCHEMBL29589716 0.85 BCL2 (0.56) BCL2RAB9ASMN1; SMN2
SCHEMBL29589723 0.84 BCL2 (0.52) BCL2MEN1KMT2AMAPT
SCHEMBL29590813 0.83 BCL2 (0.55) BCL2
SCHEMBL8247508 0.82 HPGD (0.68) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL29698174 0.82 HPGD (0.68) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL29590139 0.82 NR1H2 (0.56) BCL2LMNA
SCHEMBL29590466 0.80 HSP90AA1 (0.47) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL29590775 0.80 HSP90AA1 (0.47) HPGDMEN1KMT2AALDH1A1LMNA

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-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 — — CN disclosed
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