SCHEMBL29590750

SCHEMBL29590750

C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CN(C(=O)N(C)c1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.56
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45

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
SCHEMBL29591015 0.94 BCL2 (0.53) BCL2
SCHEMBL29590466 0.83 HSP90AA1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL16416972 0.83 HSP90AA1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL29590775 0.83 HSP90AA1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL29589794 0.82 BCL2 (0.57) BCL2
SCHEMBL29591192 0.82 BCL2 (0.51) BCL2ALDH1A1
SCHEMBL29590211 0.81 RAB9A (0.62) BCL2ALDH1A1MEN1KMT2A
SCHEMBL29590139 0.80 NR1H2 (0.56) BCL2
SCHEMBL29589831 0.79 OPRM1 (0.43) BCL2
SCHEMBL29590949 0.79 NAMPT (0.42) BCL2MEN1KMT2A

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
Send feedback