SCHEMBL1958272

SCHEMBL1958272

COC(=O)c1ccc(F)cc1Oc1ccccc1.COC(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MET P08581 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ RORC P51449 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2831091 0.94 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1956567 0.89 SLC6A2 (0.42) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL17893686 0.81 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17893773 0.79 NPC1 (0.44) KMT2ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1741581 0.79 SLC6A3 (0.51) KMT2AMEN1SLC6A4SLC6A3ALDH1A1
SCHEMBL16056102 0.78 ALDH1A1 (0.49) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL16055437 0.78 HIF1A (0.41) KMT2AMEN1NPC1SMN1; SMN2MET
SCHEMBL1957162 0.76 CYP2C9 (0.47) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL1955377 0.76 LTA4H (0.53) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL27910608 0.76 MAPT (0.51) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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