SCHEMBL24570656

SCHEMBL24570656

CNc1ccc(SNC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cnc3[nH]ccc3c2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.72
▸ BCL2L1 Q07817 2/20 0.69
▸ MCL1 Q07820 2/20 0.69
▸ BCL2L2 Q92843 2/20 0.69
▸ NSD2 O96028 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ SLC6A2 P23975 1/20 0.69
▸ BID P55957 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ ASPH Q12797 1/20 0.69
▸ BAD Q92934 1/20 0.69
▸ NSD1 Q96L73 1/20 0.69
▸ NSD3 Q9BZ95 1/20 0.69
▸ TMEM97 Q5BJF2 1/20 0.68
▸ HDAC1 Q13547 1/20 0.68
▸ HDAC6 Q9UBN7 1/20 0.68

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
SCHEMBL19503818 0.94 BCL2 (0.70) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL24166413 0.94 BCL2 (0.82) BCL2
SCHEMBL24570654 0.94 BCL2 (0.73) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL20124742 0.93 BCL2 (0.76) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19503727 0.92 BCL2 (0.75) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL18474331 0.92 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL20368791 0.91 BCL2 (0.70) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19503745 0.91 BCL2 (0.67) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL20368840 0.91 BCL2 (0.74) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21851473 0.90 BCL2 (0.71) BCL2BCL2L1MCL1BCL2L2NSD2

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-4019491-A1 PROCESS FOR PREPARING A SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2022-06-29 — — EP disclosed
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