SCHEMBL9689668

SCHEMBL9689668

CN(CCn1ncc(-c2ccccc2)cc1=O)CC(O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.41
▸ MET P08581 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
Hydrochloric Acid SCHEMBL9688314 0.87 GRIN2B (0.39) PHGDHLMNAADRB2ADRB1ADRB3
SCHEMBL9690278 0.81 NPC1 (0.39) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL10575308 0.69 LMNA (0.39) LMNAADRB2ADRB1ADRB3KDM4E
Hydrochloric Acid SCHEMBL8213970 0.68 LMNA (0.58) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL9445109 0.66 NR3C2 (0.56) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL9445124 0.66 NR3C2 (0.56) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL9445112 0.66 NR3C2 (0.56) LMNAADRB2ADRB1ADRB3KDM4E
SCHEMBL23531427 0.65 PTGIR (0.44) LMNAUSP19
SCHEMBL9689666 0.65 GAA (0.38) LMNAKDM4EMEN1KMT2AMAPK1
SCHEMBL6499356 0.63 LMNA (0.65) LMNAADRB2ADRB1ADRB3KDM4E

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 2 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-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 — — US disclosed
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