SCHEMBL9689667

SCHEMBL9689667

CN(CCN1Cc2ccccc2C1=O)CC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ NR3C1 P04150 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39

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
SCHEMBL9689266 0.90 PRMT5 (0.42) PRMT5WDR77PTGS2HTR2ANR1I2
SCHEMBL10720452 0.88 NR1I2 (0.40) NR3C1PTGS2HTR2ANR1I2ADRB2
Hydrochloric Acid SCHEMBL9689595 0.87 NR1I2 (0.39) NR3C1PTGS2HTR2ANR1I2ADRB2
SCHEMBL9689617 0.78 DRD2 (0.55) KDM4ESMN1; SMN2KMT2APRMT5WDR77
SCHEMBL9689736 0.75 BRPF1 (0.40) TSHRMEN1KMT2APTGS2HTR2A
SCHEMBL9689297 0.74 CBX7 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL9690259 0.74 KCNH2 (0.41) KDM4ETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9689654 0.73 HTR6 (0.41) KDM4EMEN1KMT2AALDH1A1ADRB2
SCHEMBL9689604 0.72 KCNH2 (0.40) KDM4ESMN1; SMN2MEN1KMT2APRMT5
SCHEMBL9689271 0.72 RAB9A (0.49) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A

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
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 — — US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 — — US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 — — US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 — — EP disclosed
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