SCHEMBL31344757

SCHEMBL31344757

O=C(NS(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCC(F)(F)C3)CC2)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.85
▸ BCL2L1 Q07817 4/20 0.85
▸ MCL1 Q07820 3/20 0.85
▸ BCL2L2 Q92843 2/20 0.85
▸ BID P55957 2/20 0.85
▸ NSD2 O96028 1/20 0.85
▸ ADORA3 P0DMS8 1/20 0.85
▸ CYP2C9 P11712 1/20 0.85
▸ ADRA2C P18825 1/20 0.85
▸ SLC6A2 P23975 1/20 0.85
▸ SLC6A3 Q01959 1/20 0.85
▸ ASPH Q12797 1/20 0.85
▸ BAD Q92934 1/20 0.85
▸ NSD1 Q96L73 1/20 0.85
▸ NSD3 Q9BZ95 1/20 0.85
▸ TMEM97 Q5BJF2 1/20 0.76
▸ BCL2A1 Q16548 1/20 0.76

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
SCHEMBL1701873 1.00 BCL2 (0.85) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL30314299 0.96 BCL2 (0.82) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL1811692 0.96 BCL2 (0.82) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL1811685 0.96 BCL2 (0.82) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL30468001 0.95 BCL2 (0.93) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL1567501 0.95 BCL2 (0.93) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL30314111 0.94 BCL2 (0.84) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL1701969 0.94 BCL2 (0.84) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL31344630 0.94 BCL2 (0.91) BCL2BCL2L1MCL1BCL2L2BID
SCHEMBL1701418 0.94 BCL2 (0.91) BCL2BCL2L1MCL1BCL2L2BID

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-4474383-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2024-12-11 — — EP disclosed
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