SCHEMBL21573219

SCHEMBL21573219

O=C(N[S+]([O-])c1ccc(NCC2COCCO2)c([N+](=O)[O-])c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC4(CC3)COC4)CC2)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.83
▸ BCL2L1 Q07817 2/20 0.64
▸ MCL1 Q07820 2/20 0.64
▸ BCL2L2 Q92843 2/20 0.64
▸ NSD2 O96028 1/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ ADRA2C P18825 1/20 0.64
▸ SLC6A2 P23975 1/20 0.64
▸ BID P55957 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ ASPH Q12797 1/20 0.64
▸ BAD Q92934 1/20 0.64
▸ NSD1 Q96L73 1/20 0.64
▸ NSD3 Q9BZ95 1/20 0.64
▸ TMEM97 Q5BJF2 1/20 0.60

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
SCHEMBL21573180 0.97 BCL2 (0.84) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL22858629 0.97 BCL2 (0.84) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21573196 0.93 BCL2 (0.72) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL22562895 0.93 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19854314 0.92 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL24982921 0.91 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19839476 0.91 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL24982913 0.91 BCL2 (0.83) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19839481 0.91 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL29376685 0.91 BCL2 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3569601-B1 N-(PHENYLSULFONYL)BENZAMIDES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS UNIV MICHIGAN REGENTS (US) 2022-06-22 — — EP disclosed
EP-3672594-B1 COMBINATION PRODUCT OF BCL-2 INHIBITOR AND MDM2 INHIBITOR AND USE THEREOF IN THE PREVENTION AND/OR TREATMENT OF DISEASES ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2021-09-29 — — EP disclosed
EP-3672595-B1 COMBINATION PRODUCT OF BCL-2 INHIBITOR AND CHEMOTHERAPEUTIC AGENT AND USE THEREOF IN THE PREVENTION AND/OR TREATMENT OF DISEASES ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2021-07-21 — — EP disclosed
EP-3494115-B1 N-(PHENYLSULFONYL)BENZAMIDE DERIVATIVES AS BCL-2 INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-10-21 — — EP disclosed
EP-3569601-A2 N-(PHENYLSULFONYL)BENZAMIDES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS The Regents of The University of Michigan (US) 2019-11-20 — — EP disclosed
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