SCHEMBL19708330

SCHEMBL19708330

O=C(c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CCCC3)CC2)cc1Oc1cnc2[nH]ccc2c1)S(=O)(=O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 18/20 0.75
▸ MCL1 Q07820 4/20 0.75
▸ BCL2L1 Q07817 4/20 0.75
▸ BID P55957 3/20 0.75
▸ SLC6A3 Q01959 2/20 0.75
▸ BCL2L2 Q92843 2/20 0.75
▸ NSD2 O96028 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ SLC6A2 P23975 1/20 0.75
▸ ASPH Q12797 1/20 0.75
▸ BAD Q92934 1/20 0.75
▸ NSD1 Q96L73 1/20 0.75
▸ NSD3 Q9BZ95 1/20 0.75
▸ BCL2A1 Q16548 1/20 0.70
▸ TMEM97 Q5BJF2 2/20 0.68
▸ ADRA1D P25100 1/20 0.68
▸ DRD3 P35462 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
SCHEMBL1701568 0.93 BCL2 (0.87) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL16038376 0.86 BCL2 (0.96) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL16038769 0.86 BCL2 (0.96) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL31344630 0.86 BCL2 (0.91) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL1701418 0.86 BCL2 (0.91) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL29373366 0.86 BCL2 (1.00) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL20580441 0.86 BCL2 (1.00) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL25100284 0.86 BCL2 (0.86) BCL2MCL1BCL2L1BIDSLC6A3
Venetoclax SCHEMBL523816 0.86 BCL2 (1.00) BCL2MCL1BCL2L1BIDSLC6A3
SCHEMBL1567501 0.86 BCL2 (0.93) BCL2MCL1BCL2L1BIDSLC6A3

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
WO-2017212431-A1 SOLID FORMS OF VENETOCLAX AND PROCESSES FOR THE PREPARATION OF VENETOCLAX DR. REDDY’S LABORATORIES LIMITED (IN) 2017-12-14 — — WO disclosed
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