SCHEMBL19853713

SCHEMBL19853713

O=C(N[S+]([O-])c1cc([N+](=O)[O-])c2[nH]c(CC3CCOCC3)nc2c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC4(CCC4)CC3)CC2)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.70
▸ NSD2 O96028 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ ADRA2C P18825 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ BID P55957 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ BCL2L1 Q07817 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ ASPH Q12797 1/20 0.62
▸ BCL2L2 Q92843 1/20 0.62
▸ BAD Q92934 1/20 0.62
▸ NSD1 Q96L73 1/20 0.62
▸ NSD3 Q9BZ95 1/20 0.62

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
SCHEMBL24519990 0.91 BCL2 (0.70) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL21573198 0.91 BCL2 (0.71) BCL2BCL2L1MCL1BCL2L2
SCHEMBL20580603 0.91 BCL2 (0.82) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL29375954 0.91 BCL2 (0.82) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL19853638 0.90 BCL2 (0.83) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL21573183 0.89 BCL2 (0.69) BCL2
SCHEMBL22562885 0.89 BCL2 (0.74) BCL2NSD2ADORA3CYP2C9ADRA2C
SCHEMBL22562900 0.89 BCL2 (0.71) BCL2
SCHEMBL21573199 0.89 BCL2 (0.71) BCL2
SCHEMBL21573167 0.88 BCL2 (0.83) BCL2NSD2ADORA3CYP2C9ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2018027097-A1 N-(PHENYLSULFONYL)BENZAMIDES AND RELATED COMPOUNDS AS BCL-2 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-08 — — WO disclosed
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